2-[(dimethylamino)methyl]-7-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)quinazolin-4-amine

C26H29N5 — CID 22030488

IUPAC2-[(dimethylamino)methyl]-7-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)quinazolin-4-amine
SMILESCc1cccnc1-c1ccc2c(Nc3ccc(C(C)C)cc3)nc(CN(C)C)nc2c1
InChIInChI=1S/C26H29N5/c1-17(2)19-8-11-21(12-9-19)28-26-22-13-10-20(25-18(3)7-6-14-27-25)15-23(22)29-24(30-26)16-31(4)5/h6-15,17H,16H2,1-5H3,(H,28,29,30)
InChIKeyXWBRGJQWPQXPDD-UHFFFAOYSA-N
MW411.55 g/mol
LogP5.93
Rot. Bonds6

About 2-[(dimethylamino)methyl]-7-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)quinazolin-4-amine

2-[(dimethylamino)methyl]-7-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)quinazolin-4-amine (PubChem CID 22030488) has the molecular formula C26H29N5 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-7-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-7-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)quinazolin-4-amine
PubChem CID22030488
Molecular FormulaC26H29N5
Molecular Weight411.55 g/mol
Exact Mass411.24
IUPAC Name2-[(dimethylamino)methyl]-7-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)quinazolin-4-amine
SMILESCc1cccnc1-c1ccc2c(Nc3ccc(C(C)C)cc3)nc(CN(C)C)nc2c1
InChIInChI=1S/C26H29N5/c1-17(2)19-8-11-21(12-9-19)28-26-22-13-10-20(25-18(3)7-6-14-27-25)15-23(22)29-24(30-26)16-31(4)5/h6-15,17H,16H2,1-5H3,(H,28,29,30)
InChIKeyXWBRGJQWPQXPDD-UHFFFAOYSA-N
XLogP5.93
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(dimethylamino)methyl]-7-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)quinazolin-4-amine with MolForge

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Related Compounds

Osi-906
CID 11640390
Ngd-8243
CID 11247522
Ly-3009120
CID 71721540
Pazelliptine
CID 68853
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
NSC 23766 trihydrochloride
CID 16759159
Sch-79797
CID 4259181
N6-[2-[5-(diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine
CID 409805
Ldn-212854
CID 60182388
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
Sri-9439
CID 446752

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-7-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)quinazolin-4-amine?
The IUPAC name of 2-[(dimethylamino)methyl]-7-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)quinazolin-4-amine (CID 22030488) is 2-[(dimethylamino)methyl]-7-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-[(dimethylamino)methyl]-7-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)quinazolin-4-amine?
The canonical SMILES for 2-[(dimethylamino)methyl]-7-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)quinazolin-4-amine is Cc1cccnc1-c1ccc2c(Nc3ccc(C(C)C)cc3)nc(CN(C)C)nc2c1.
What is the InChIKey of 2-[(dimethylamino)methyl]-7-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)quinazolin-4-amine?
The InChIKey is XWBRGJQWPQXPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5/c1-17(2)19-8-11-21(12-9-19)28-26-22-13-10-20(25-18(3)7-6-14-27-25)15-23(22)29-24(30-26)16-31(4)5/h6-15,17H,16H2,1-5H3,(H,28,29,30).
What are the key properties of 2-[(dimethylamino)methyl]-7-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)quinazolin-4-amine?
2-[(dimethylamino)methyl]-7-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)quinazolin-4-amine has a molecular weight of 411.55 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-7-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)quinazolin-4-amine is sourced from PubChem (CID 22030488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).