N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide

C27H28N6O3 — CID 172878812

IUPACN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(=O)n(Cc4ccccn4)cnc3c2)cc1N1CCN(C)CC1
InChIInChI=1S/C27H28N6O3/c1-31-11-13-32(14-12-31)24-16-20(7-9-25(24)36-2)30-26(34)19-6-8-22-23(15-19)29-18-33(27(22)35)17-21-5-3-4-10-28-21/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,30,34)
InChIKeyMRXDOWXJGFZQER-UHFFFAOYSA-N
MW484.56 g/mol
LogP2.85
Rot. Bonds6

About N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide

N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide (PubChem CID 172878812) has the molecular formula C27H28N6O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide
PubChem CID172878812
Molecular FormulaC27H28N6O3
Molecular Weight484.56 g/mol
Exact Mass484.22
IUPAC NameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(=O)n(Cc4ccccn4)cnc3c2)cc1N1CCN(C)CC1
InChIInChI=1S/C27H28N6O3/c1-31-11-13-32(14-12-31)24-16-20(7-9-25(24)36-2)30-26(34)19-6-8-22-23(15-19)29-18-33(27(22)35)17-21-5-3-4-10-28-21/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,30,34)
InChIKeyMRXDOWXJGFZQER-UHFFFAOYSA-N
XLogP2.85
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-oxo-N-(4-phenylmethoxyphenyl)-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide
CID 139779480
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-(2-pyridin-2-ylethylamino)-1H-pyridine-3-carboxamide
CID 25191137
4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18940679
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[7-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenoxy]heptoxy]benzamide;oxalic acid
CID 44533107
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide
CID 139711806
ethyl 4-imidazol-1-ylbenzoate;4-imidazol-1-yl-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 67754406
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 22459288
4-methoxy-N-phenyl-3-pyrrolidin-1-ylbenzamide
CID 168511942
N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4903088
4-(difluoromethoxy)-3-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 24535249
N-[3-(4-benzylpiperazin-1-yl)-4-methoxyphenyl]-4-bromo-3-methylbenzamide;oxalic acid
CID 44533134
3-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-one
CID 91650448

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide?
The IUPAC name of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide (CID 172878812) is N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide is COc1ccc(NC(=O)c2ccc3c(=O)n(Cc4ccccn4)cnc3c2)cc1N1CCN(C)CC1.
What is the InChIKey of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide?
The InChIKey is MRXDOWXJGFZQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3/c1-31-11-13-32(14-12-31)24-16-20(7-9-25(24)36-2)30-26(34)19-6-8-22-23(15-19)29-18-33(27(22)35)17-21-5-3-4-10-28-21/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,30,34).
What are the key properties of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide?
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide is sourced from PubChem (CID 172878812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).