(1S)-1-[4-[2-[(1S)-1-hydroxy-2-methylpropyl]quinazolin-4-yl]quinazolin-2-yl]-2-methylpropan-1-ol

C24H26N4O2 — CID 45257862

IUPAC(1S)-1-[4-[2-[(1S)-1-hydroxy-2-methylpropyl]quinazolin-4-yl]quinazolin-2-yl]-2-methylpropan-1-ol
SMILESCC(C)[C@H](O)c1nc(-c2nc([C@@H](O)C(C)C)nc3ccccc23)c2ccccc2n1
InChIInChI=1S/C24H26N4O2/c1-13(2)21(29)23-25-17-11-7-5-9-15(17)19(27-23)20-16-10-6-8-12-18(16)26-24(28-20)22(30)14(3)4/h5-14,21-22,29-30H,1-4H3/t21-,22-/m0/s1
InChIKeyQSFYXALOAVBQGA-VXKWHMMOSA-N
MW402.50 g/mol
LogP4.62
Rot. Bonds5

About (1S)-1-[4-[2-[(1S)-1-hydroxy-2-methylpropyl]quinazolin-4-yl]quinazolin-2-yl]-2-methylpropan-1-ol

(1S)-1-[4-[2-[(1S)-1-hydroxy-2-methylpropyl]quinazolin-4-yl]quinazolin-2-yl]-2-methylpropan-1-ol (PubChem CID 45257862) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is (1S)-1-[4-[2-[(1S)-1-hydroxy-2-methylpropyl]quinazolin-4-yl]quinazolin-2-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-[4-[2-[(1S)-1-hydroxy-2-methylpropyl]quinazolin-4-yl]quinazolin-2-yl]-2-methylpropan-1-ol
PubChem CID45257862
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name(1S)-1-[4-[2-[(1S)-1-hydroxy-2-methylpropyl]quinazolin-4-yl]quinazolin-2-yl]-2-methylpropan-1-ol
SMILESCC(C)[C@H](O)c1nc(-c2nc([C@@H](O)C(C)C)nc3ccccc23)c2ccccc2n1
InChIInChI=1S/C24H26N4O2/c1-13(2)21(29)23-25-17-11-7-5-9-15(17)19(27-23)20-16-10-6-8-12-18(16)26-24(28-20)22(30)14(3)4/h5-14,21-22,29-30H,1-4H3/t21-,22-/m0/s1
InChIKeyQSFYXALOAVBQGA-VXKWHMMOSA-N
XLogP4.62
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-1-(4-phenylquinazolin-2-yl)propan-1-ol
CID 101084013
2-(3-methylbutan-2-yl)-4-phenylquinazoline
CID 142487747
4-(2-phenylphenyl)-2-propan-2-ylquinazoline
CID 147384271
(1S)-1-benzo[f]quinolin-3-yl-2-methylpropan-1-ol
CID 102020468
4-naphthalen-2-yl-2-propan-2-ylquinazoline
CID 130266064
3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol
CID 63205399
9-(1-acridin-9-ylethyl)acridine
CID 118649577
(2R)-2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-methylbutanoic acid
CID 122050851
4-dibenzothiophen-3-yl-2-propan-2-ylquinazoline
CID 163797319
N-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]acetamide
CID 10912745
(2S)-2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-methylbutanoic acid
CID 122049640
6-(1-phenylethyl)phenanthridine
CID 154722213

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[2-[(1S)-1-hydroxy-2-methylpropyl]quinazolin-4-yl]quinazolin-2-yl]-2-methylpropan-1-ol?
The IUPAC name of (1S)-1-[4-[2-[(1S)-1-hydroxy-2-methylpropyl]quinazolin-4-yl]quinazolin-2-yl]-2-methylpropan-1-ol (CID 45257862) is (1S)-1-[4-[2-[(1S)-1-hydroxy-2-methylpropyl]quinazolin-4-yl]quinazolin-2-yl]-2-methylpropan-1-ol.
What is the SMILES notation for (1S)-1-[4-[2-[(1S)-1-hydroxy-2-methylpropyl]quinazolin-4-yl]quinazolin-2-yl]-2-methylpropan-1-ol?
The canonical SMILES for (1S)-1-[4-[2-[(1S)-1-hydroxy-2-methylpropyl]quinazolin-4-yl]quinazolin-2-yl]-2-methylpropan-1-ol is CC(C)[C@H](O)c1nc(-c2nc([C@@H](O)C(C)C)nc3ccccc23)c2ccccc2n1.
What is the InChIKey of (1S)-1-[4-[2-[(1S)-1-hydroxy-2-methylpropyl]quinazolin-4-yl]quinazolin-2-yl]-2-methylpropan-1-ol?
The InChIKey is QSFYXALOAVBQGA-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-13(2)21(29)23-25-17-11-7-5-9-15(17)19(27-23)20-16-10-6-8-12-18(16)26-24(28-20)22(30)14(3)4/h5-14,21-22,29-30H,1-4H3/t21-,22-/m0/s1.
What are the key properties of (1S)-1-[4-[2-[(1S)-1-hydroxy-2-methylpropyl]quinazolin-4-yl]quinazolin-2-yl]-2-methylpropan-1-ol?
(1S)-1-[4-[2-[(1S)-1-hydroxy-2-methylpropyl]quinazolin-4-yl]quinazolin-2-yl]-2-methylpropan-1-ol has a molecular weight of 402.50 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[2-[(1S)-1-hydroxy-2-methylpropyl]quinazolin-4-yl]quinazolin-2-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 45257862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).