4-[[3-[(2-methylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide

C24H21N5O2 — CID 66763284

IUPAC4-[[3-[(2-methylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESCc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1
InChIInChI=1S/C24H21N5O2/c1-15-6-2-3-9-18(15)24(31)29-17-8-4-7-16(12-17)13-26-23-20-11-5-10-19(22(25)30)21(20)27-14-28-23/h2-12,14H,13H2,1H3,(H2,25,30)(H,29,31)(H,26,27,28)
InChIKeyRCBPCGVUXHCRAA-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.90
Rot. Bonds6

About 4-[[3-[(2-methylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide

4-[[3-[(2-methylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide (PubChem CID 66763284) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 4-[[3-[(2-methylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[3-[(2-methylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
PubChem CID66763284
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name4-[[3-[(2-methylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESCc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1
InChIInChI=1S/C24H21N5O2/c1-15-6-2-3-9-18(15)24(31)29-17-8-4-7-16(12-17)13-26-23-20-11-5-10-19(22(25)30)21(20)27-14-28-23/h2-12,14H,13H2,1H3,(H2,25,30)(H,29,31)(H,26,27,28)
InChIKeyRCBPCGVUXHCRAA-UHFFFAOYSA-N
XLogP3.90
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2-methylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[3-[(2-methylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide (CID 66763284) is 4-[[3-[(2-methylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[3-[(2-methylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[3-[(2-methylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide is Cc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1.
What is the InChIKey of 4-[[3-[(2-methylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
The InChIKey is RCBPCGVUXHCRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-15-6-2-3-9-18(15)24(31)29-17-8-4-7-16(12-17)13-26-23-20-11-5-10-19(22(25)30)21(20)27-14-28-23/h2-12,14H,13H2,1H3,(H2,25,30)(H,29,31)(H,26,27,28).
What are the key properties of 4-[[3-[(2-methylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
4-[[3-[(2-methylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2-methylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).