7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4H-1,4-benzoxazin-3-one

C22H17N5O3 — CID 71180918

IUPAC7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4H-1,4-benzoxazin-3-one
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3ccc4c(c3)OCC(=O)N4)c2c1
InChIInChI=1S/C22H17N5O3/c1-29-15-5-7-17-16(10-15)22(27-21(26-17)13-3-2-8-23-11-13)24-14-4-6-18-19(9-14)30-12-20(28)25-18/h2-11H,12H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyPBZZSWJNDYNKHY-UHFFFAOYSA-N
MW399.41 g/mol
LogP3.77
Rot. Bonds4

About 7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4H-1,4-benzoxazin-3-one

7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4H-1,4-benzoxazin-3-one (PubChem CID 71180918) has the molecular formula C22H17N5O3 and a molecular weight of 399.41 g/mol. Its IUPAC name is 7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4H-1,4-benzoxazin-3-one
PubChem CID71180918
Molecular FormulaC22H17N5O3
Molecular Weight399.41 g/mol
Exact Mass399.13
IUPAC Name7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4H-1,4-benzoxazin-3-one
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3ccc4c(c3)OCC(=O)N4)c2c1
InChIInChI=1S/C22H17N5O3/c1-29-15-5-7-17-16(10-15)22(27-21(26-17)13-3-2-8-23-11-13)24-14-4-6-18-19(9-14)30-12-20(28)25-18/h2-11H,12H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyPBZZSWJNDYNKHY-UHFFFAOYSA-N
XLogP3.77
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4H-1,4-benzoxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]chromen-2-one
CID 89417197
6-methoxy-2-pyridin-3-yl-N-quinolin-6-ylquinazolin-4-amine
CID 71274406
2-methoxy-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzoxazol-6-amine
CID 71180927
N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine
CID 71273583
N-(4-chloro-3-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274391
6-methoxy-N-[3-(1,3-oxazol-2-yl)phenyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180917
7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 71181163
N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 67298112
N-(2,6-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274367
6-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180169
6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine
CID 71274409
N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71180386

Frequently Asked Questions

What is the IUPAC name of 7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4H-1,4-benzoxazin-3-one (CID 71180918) is 7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4H-1,4-benzoxazin-3-one is COc1ccc2nc(-c3cccnc3)nc(Nc3ccc4c(c3)OCC(=O)N4)c2c1.
What is the InChIKey of 7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4H-1,4-benzoxazin-3-one?
The InChIKey is PBZZSWJNDYNKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O3/c1-29-15-5-7-17-16(10-15)22(27-21(26-17)13-3-2-8-23-11-13)24-14-4-6-18-19(9-14)30-12-20(28)25-18/h2-11H,12H2,1H3,(H,25,28)(H,24,26,27).
What are the key properties of 7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4H-1,4-benzoxazin-3-one?
7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4H-1,4-benzoxazin-3-one has a molecular weight of 399.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 71180918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).