(7R)-1-[(4-aminoquinazolin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one

C20H21N5O — CID 124615429

IUPAC(7R)-1-[(4-aminoquinazolin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one
SMILESNc1nc(CN2CCNC(=O)C[C@@H]2c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H21N5O/c21-20-15-8-4-5-9-16(15)23-18(24-20)13-25-11-10-22-19(26)12-17(25)14-6-2-1-3-7-14/h1-9,17H,10-13H2,(H,22,26)(H2,21,23,24)/t17-/m1/s1
InChIKeyRBKFOKGSSPNQCT-QGZVFWFLSA-N
MW347.42 g/mol
LogP2.28
Rot. Bonds3

About (7R)-1-[(4-aminoquinazolin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one

(7R)-1-[(4-aminoquinazolin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one (PubChem CID 124615429) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (7R)-1-[(4-aminoquinazolin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name(7R)-1-[(4-aminoquinazolin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one
PubChem CID124615429
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(7R)-1-[(4-aminoquinazolin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one
SMILESNc1nc(CN2CCNC(=O)C[C@@H]2c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H21N5O/c21-20-15-8-4-5-9-16(15)23-18(24-20)13-25-11-10-22-19(26)12-17(25)14-6-2-1-3-7-14/h1-9,17H,10-13H2,(H,22,26)(H2,21,23,24)/t17-/m1/s1
InChIKeyRBKFOKGSSPNQCT-QGZVFWFLSA-N
XLogP2.28
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-1-[(4-aminoquinazolin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one?
The IUPAC name of (7R)-1-[(4-aminoquinazolin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one (CID 124615429) is (7R)-1-[(4-aminoquinazolin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one.
What is the SMILES notation for (7R)-1-[(4-aminoquinazolin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one?
The canonical SMILES for (7R)-1-[(4-aminoquinazolin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one is Nc1nc(CN2CCNC(=O)C[C@@H]2c2ccccc2)nc2ccccc12.
What is the InChIKey of (7R)-1-[(4-aminoquinazolin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one?
The InChIKey is RBKFOKGSSPNQCT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N5O/c21-20-15-8-4-5-9-16(15)23-18(24-20)13-25-11-10-22-19(26)12-17(25)14-6-2-1-3-7-14/h1-9,17H,10-13H2,(H,22,26)(H2,21,23,24)/t17-/m1/s1.
What are the key properties of (7R)-1-[(4-aminoquinazolin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one?
(7R)-1-[(4-aminoquinazolin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one has a molecular weight of 347.42 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1-[(4-aminoquinazolin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one is sourced from PubChem (CID 124615429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).