[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methanol;[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methyl N-propan-2-ylcarbamate

C56H49N11O3 — CID 157404180

IUPAC[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methanol;[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1.OCc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1
InChIInChI=1S/C30H28N6O2.C26H21N5O/c1-20(2)34-30(37)38-19-21-15-23(17-31-16-21)28-35-26-13-8-12-25(22-9-4-3-5-10-22)27(26)29(36-28)33-18-24-11-6-7-14-32-24;32-17-18-13-20(15-27-14-18)25-30-23-11-6-10-22(19-7-2-1-3-8-19)24(23)26(31-25)29-16-21-9-4-5-12-28-21/h3-17,20H,18-19H2,1-2H3,(H,34,37)(H,33,35,36);1-15,32H,16-17H2,(H,29,30,31)
InChIKeyBNNIWOZUQNTYLV-UHFFFAOYSA-N
MW924.08 g/mol
LogP10.86
Rot. Bonds14

About [5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methanol;[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methyl N-propan-2-ylcarbamate

[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methanol;[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methyl N-propan-2-ylcarbamate (PubChem CID 157404180) has the molecular formula C56H49N11O3 and a molecular weight of 924.08 g/mol. Its IUPAC name is [5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methanol;[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methanol;[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methyl N-propan-2-ylcarbamate
PubChem CID157404180
Molecular FormulaC56H49N11O3
Molecular Weight924.08 g/mol
Exact Mass923.40
IUPAC Name[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methanol;[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1.OCc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1
InChIInChI=1S/C30H28N6O2.C26H21N5O/c1-20(2)34-30(37)38-19-21-15-23(17-31-16-21)28-35-26-13-8-12-25(22-9-4-3-5-10-22)27(26)29(36-28)33-18-24-11-6-7-14-32-24;32-17-18-13-20(15-27-14-18)25-30-23-11-6-10-22(19-7-2-1-3-8-19)24(23)26(31-25)29-16-21-9-4-5-12-28-21/h3-17,20H,18-19H2,1-2H3,(H,34,37)(H,33,35,36);1-15,32H,16-17H2,(H,29,30,31)
InChIKeyBNNIWOZUQNTYLV-UHFFFAOYSA-N
XLogP10.86
TPSA185.74 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500924.08
LogP ≤ 510.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze [5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methanol;[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methyl N-propan-2-ylcarbamate with MolForge

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Related Compounds

2-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]propanamide
CID 51030081
5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-3-carbohydrazide
CID 67055923
2-[5-(aminomethyl)-3-pyridinyl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;N-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methyl]methanesulfonamide
CID 159681048
N-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-3-sulfinamide
CID 139377274
5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide
CID 51030922
2,2,2-trifluoro-N-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]acetamide
CID 88891301
bis(2-methyl-1-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]propan-1-ol);5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-3-carbaldehyde
CID 159512936
tert-butyl N-[(E)-2-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]ethenyl]sulfonylcarbamate;5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-3-carbaldehyde
CID 160780735
tert-butyl (2S)-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]carbamoyl]azecane-1-carboxylate
CID 155049693
6-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrazine-2-sulfonamide
CID 51029627
5-(4-amino-5-phenylquinazolin-2-yl)-N-tert-butylpyridine-3-sulfonamide;N-tert-butyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-3-sulfonamide;2-(chloromethyl)pyridine;hydrochloride
CID 162252305
5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-sulfinamide
CID 126518365

Frequently Asked Questions

What is the IUPAC name of [5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methanol;[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methyl N-propan-2-ylcarbamate?
The IUPAC name of [5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methanol;[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methyl N-propan-2-ylcarbamate (CID 157404180) is [5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methanol;[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methyl N-propan-2-ylcarbamate.
What is the SMILES notation for [5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methanol;[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methyl N-propan-2-ylcarbamate?
The canonical SMILES for [5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methanol;[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methyl N-propan-2-ylcarbamate is CC(C)NC(=O)OCc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1.OCc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1.
What is the InChIKey of [5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methanol;[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methyl N-propan-2-ylcarbamate?
The InChIKey is BNNIWOZUQNTYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O2.C26H21N5O/c1-20(2)34-30(37)38-19-21-15-23(17-31-16-21)28-35-26-13-8-12-25(22-9-4-3-5-10-22)27(26)29(36-28)33-18-24-11-6-7-14-32-24;32-17-18-13-20(15-27-14-18)25-30-23-11-6-10-22(19-7-2-1-3-8-19)24(23)26(31-25)29-16-21-9-4-5-12-28-21/h3-17,20H,18-19H2,1-2H3,(H,34,37)(H,33,35,36);1-15,32H,16-17H2,(H,29,30,31).
What are the key properties of [5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methanol;[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methyl N-propan-2-ylcarbamate?
[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methanol;[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methyl N-propan-2-ylcarbamate has a molecular weight of 924.08 g/mol, XLogP of 10.86, 14 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methanol;[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methyl N-propan-2-ylcarbamate is sourced from PubChem (CID 157404180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).