N-[2-(4-chlorophenyl)ethyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide

C29H24ClN5O2 — CID 135127846

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3ccccc3C(=O)NCCc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C29H24ClN5O2/c1-37-22-12-13-26-24(17-22)28(35-27(33-26)20-5-4-15-31-18-20)34-25-7-3-2-6-23(25)29(36)32-16-14-19-8-10-21(30)11-9-19/h2-13,15,17-18H,14,16H2,1H3,(H,32,36)(H,33,34,35)
InChIKeyDSGVECFHDWRZNY-UHFFFAOYSA-N
MW510.00 g/mol
LogP6.07
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide

N-[2-(4-chlorophenyl)ethyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide (PubChem CID 135127846) has the molecular formula C29H24ClN5O2 and a molecular weight of 510.00 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
PubChem CID135127846
Molecular FormulaC29H24ClN5O2
Molecular Weight510.00 g/mol
Exact Mass509.16
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3ccccc3C(=O)NCCc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C29H24ClN5O2/c1-37-22-12-13-26-24(17-22)28(35-27(33-26)20-5-4-15-31-18-20)34-25-7-3-2-6-23(25)29(36)32-16-14-19-8-10-21(30)11-9-19/h2-13,15,17-18H,14,16H2,1H3,(H,32,36)(H,33,34,35)
InChIKeyDSGVECFHDWRZNY-UHFFFAOYSA-N
XLogP6.07
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.00
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-prop-2-ynylbenzamide
CID 89347943
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-propylbenzamide
CID 71180520
N-[2-[1-[2-(2-fluorophenyl)ethylamino]but-1-enyl]phenyl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 144500726
N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 67298112
N-[(4-chlorophenyl)methyl]-2-[(7-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 71181264
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide
CID 71181011
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-cyclopropylbenzamide
CID 71181047
[4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate
CID 67298380
2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylbenzamide
CID 144501294
N-(2,6-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274367
2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 67298170
2-[(6-methoxy-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide
CID 71274504

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide (CID 135127846) is N-[2-(4-chlorophenyl)ethyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide is COc1ccc2nc(-c3cccnc3)nc(Nc3ccccc3C(=O)NCCc3ccc(Cl)cc3)c2c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
The InChIKey is DSGVECFHDWRZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClN5O2/c1-37-22-12-13-26-24(17-22)28(35-27(33-26)20-5-4-15-31-18-20)34-25-7-3-2-6-23(25)29(36)32-16-14-19-8-10-21(30)11-9-19/h2-13,15,17-18H,14,16H2,1H3,(H,32,36)(H,33,34,35).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
N-[2-(4-chlorophenyl)ethyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide has a molecular weight of 510.00 g/mol, XLogP of 6.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide is sourced from PubChem (CID 135127846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).