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

C24H21N5O3 — CID 66762406

IUPAC4-[[3-[(2-methoxybenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESCOc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1
InChIInChI=1S/C24H21N5O3/c1-32-20-11-3-2-8-17(20)24(31)29-16-7-4-6-15(12-16)13-26-23-19-10-5-9-18(22(25)30)21(19)27-14-28-23/h2-12,14H,13H2,1H3,(H2,25,30)(H,29,31)(H,26,27,28)
InChIKeyNQOIWUCLZREOSK-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.60
Rot. Bonds7

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

4-[[3-[(2-methoxybenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide (PubChem CID 66762406) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is 4-[[3-[(2-methoxybenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[3-[(2-methoxybenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
PubChem CID66762406
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name4-[[3-[(2-methoxybenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESCOc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1
InChIInChI=1S/C24H21N5O3/c1-32-20-11-3-2-8-17(20)24(31)29-16-7-4-6-15(12-16)13-26-23-19-10-5-9-18(22(25)30)21(19)27-14-28-23/h2-12,14H,13H2,1H3,(H2,25,30)(H,29,31)(H,26,27,28)
InChIKeyNQOIWUCLZREOSK-UHFFFAOYSA-N
XLogP3.60
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2-methoxybenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[3-[(2-methoxybenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide (CID 66762406) is 4-[[3-[(2-methoxybenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[3-[(2-methoxybenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[3-[(2-methoxybenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide is COc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1.
What is the InChIKey of 4-[[3-[(2-methoxybenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
The InChIKey is NQOIWUCLZREOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-32-20-11-3-2-8-17(20)24(31)29-16-7-4-6-15(12-16)13-26-23-19-10-5-9-18(22(25)30)21(19)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-methoxybenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide?
4-[[3-[(2-methoxybenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 3.60, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2-methoxybenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66762406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).