N-(3-chloro-4-methylphenyl)-6-methoxy-7-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine

C25H26ClN5O2S — CID 70946712

IUPACN-(3-chloro-4-methylphenyl)-6-methoxy-7-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(C)c(Cl)c3)ncnc2cc1OCc1csc(C2CCNCC2)n1
InChIInChI=1S/C25H26ClN5O2S/c1-15-3-4-17(9-20(15)26)30-24-19-10-22(32-2)23(11-21(19)28-14-29-24)33-12-18-13-34-25(31-18)16-5-7-27-8-6-16/h3-4,9-11,13-14,16,27H,5-8,12H2,1-2H3,(H,28,29,30)
InChIKeyAVJKUJVZEYMFES-UHFFFAOYSA-N
MW496.04 g/mol
LogP5.85
Rot. Bonds7

About N-(3-chloro-4-methylphenyl)-6-methoxy-7-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine

N-(3-chloro-4-methylphenyl)-6-methoxy-7-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine (PubChem CID 70946712) has the molecular formula C25H26ClN5O2S and a molecular weight of 496.04 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-methoxy-7-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-methoxy-7-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine
PubChem CID70946712
Molecular FormulaC25H26ClN5O2S
Molecular Weight496.04 g/mol
Exact Mass495.15
IUPAC NameN-(3-chloro-4-methylphenyl)-6-methoxy-7-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(C)c(Cl)c3)ncnc2cc1OCc1csc(C2CCNCC2)n1
InChIInChI=1S/C25H26ClN5O2S/c1-15-3-4-17(9-20(15)26)30-24-19-10-22(32-2)23(11-21(19)28-14-29-24)33-12-18-13-34-25(31-18)16-5-7-27-8-6-16/h3-4,9-11,13-14,16,27H,5-8,12H2,1-2H3,(H,28,29,30)
InChIKeyAVJKUJVZEYMFES-UHFFFAOYSA-N
XLogP5.85
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.04
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-chloro-3-methylphenyl)-6-methoxy-7-[(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-amine
CID 70946752
2-[4-[[4-(3,4-dichloroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,3-thiazol-2-yl]ethylsulfanylmethylazanide
CID 142852286
N-(3,4-dichlorophenyl)-6-methoxy-7-[(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]quinazolin-4-amine
CID 76614830
N-(3,4-dichlorophenyl)-6-methoxy-7-(oxepan-2-ylmethoxy)quinazolin-4-amine
CID 153068829
N-(4-chloro-3-methylphenyl)-6-methoxy-7-[(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-amine
CID 70989067
N-(3-chloro-4-fluorophenyl)-6-methoxy-7-methylquinazolin-4-amine;4-ethyl-2-methyl-1,3-thiazole
CID 145016681
7-[[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 10073562
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
N-(3,4-dichlorophenyl)-6-methoxy-7-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]quinazolin-4-amine;hydrochloride
CID 66838541
N-(3,4-dichlorophenyl)-7-[[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]-6-methoxyquinazolin-4-amine;hydrochloride
CID 66838733
(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol
CID 145270386
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(3-methoxypyrrolidin-1-yl)propoxy]quinazolin-4-amine
CID 25132295

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-methoxy-7-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-methoxy-7-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine (CID 70946712) is N-(3-chloro-4-methylphenyl)-6-methoxy-7-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-methoxy-7-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-methoxy-7-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine is COc1cc2c(Nc3ccc(C)c(Cl)c3)ncnc2cc1OCc1csc(C2CCNCC2)n1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-methoxy-7-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine?
The InChIKey is AVJKUJVZEYMFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O2S/c1-15-3-4-17(9-20(15)26)30-24-19-10-22(32-2)23(11-21(19)28-14-29-24)33-12-18-13-34-25(31-18)16-5-7-27-8-6-16/h3-4,9-11,13-14,16,27H,5-8,12H2,1-2H3,(H,28,29,30).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-methoxy-7-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine?
N-(3-chloro-4-methylphenyl)-6-methoxy-7-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine has a molecular weight of 496.04 g/mol, XLogP of 5.85, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6-methoxy-7-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine is sourced from PubChem (CID 70946712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).