N-(3-chloro-4-fluorophenyl)-6-[(1-ethylpiperidin-4-yl)methyl]-7-methylquinazolin-4-amine;ethane

C25H32ClFN4 — CID 142811085

IUPACN-(3-chloro-4-fluorophenyl)-6-[(1-ethylpiperidin-4-yl)methyl]-7-methylquinazolin-4-amine;ethane
SMILESCC.CCN1CCC(Cc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2C)CC1
InChIInChI=1S/C23H26ClFN4.C2H6/c1-3-29-8-6-16(7-9-29)11-17-12-19-22(10-15(17)2)26-14-27-23(19)28-18-4-5-21(25)20(24)13-18;1-2/h4-5,10,12-14,16H,3,6-9,11H2,1-2H3,(H,26,27,28);1-2H3
InChIKeyVXCMULGJWBEIJV-UHFFFAOYSA-N
MW443.01 g/mol
LogP6.77
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-6-[(1-ethylpiperidin-4-yl)methyl]-7-methylquinazolin-4-amine;ethane

N-(3-chloro-4-fluorophenyl)-6-[(1-ethylpiperidin-4-yl)methyl]-7-methylquinazolin-4-amine;ethane (PubChem CID 142811085) has the molecular formula C25H32ClFN4 and a molecular weight of 443.01 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-[(1-ethylpiperidin-4-yl)methyl]-7-methylquinazolin-4-amine;ethane.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-[(1-ethylpiperidin-4-yl)methyl]-7-methylquinazolin-4-amine;ethane
PubChem CID142811085
Molecular FormulaC25H32ClFN4
Molecular Weight443.01 g/mol
Exact Mass442.23
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-[(1-ethylpiperidin-4-yl)methyl]-7-methylquinazolin-4-amine;ethane
SMILESCC.CCN1CCC(Cc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2C)CC1
InChIInChI=1S/C23H26ClFN4.C2H6/c1-3-29-8-6-16(7-9-29)11-17-12-19-22(10-15(17)2)26-14-27-23(19)28-18-4-5-21(25)20(24)13-18;1-2/h4-5,10,12-14,16H,3,6-9,11H2,1-2H3,(H,26,27,28);1-2H3
InChIKeyVXCMULGJWBEIJV-UHFFFAOYSA-N
XLogP6.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.01
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-fluorophenyl)-6-[(1-ethylpiperidin-4-yl)methyl]-7-methylquinazolin-4-amine;ethane with MolForge

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Related Compounds

AV-412 free base
CID 9806229
4-(3-Chloroanilino)quinazoline
CID 128872
N1-(7-chloroquinolin-4-yl)-N3-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)propane-1,3-diamine
CID 70684938
4-N-(3-chlorophenyl)quinazoline-4,7-diamine
CID 5328193
N-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine
CID 720610
N4-(3-chlorophenyl)quinazoline-4,6-diamine
CID 11807783
6-Methyl-N5-(3-(pyrimidin-4-yl)pyridin-2-yl)-N1-(3-(trifluoromethyl)phenyl)isoquinoline-1,5-diamine
CID 16214904
Aminoquinazoline, 18
CID 24863671
N-(3-chlorophenyl)-6-fluoroquinazolin-4-amine
CID 24991329
Aminoisoquinoline, 12b
CID 44473101
Aminoisoquinoline, 13
CID 44473102
2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol
CID 126531356

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-[(1-ethylpiperidin-4-yl)methyl]-7-methylquinazolin-4-amine;ethane?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-[(1-ethylpiperidin-4-yl)methyl]-7-methylquinazolin-4-amine;ethane (CID 142811085) is N-(3-chloro-4-fluorophenyl)-6-[(1-ethylpiperidin-4-yl)methyl]-7-methylquinazolin-4-amine;ethane.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-[(1-ethylpiperidin-4-yl)methyl]-7-methylquinazolin-4-amine;ethane?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-[(1-ethylpiperidin-4-yl)methyl]-7-methylquinazolin-4-amine;ethane is CC.CCN1CCC(Cc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2C)CC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-[(1-ethylpiperidin-4-yl)methyl]-7-methylquinazolin-4-amine;ethane?
The InChIKey is VXCMULGJWBEIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN4.C2H6/c1-3-29-8-6-16(7-9-29)11-17-12-19-22(10-15(17)2)26-14-27-23(19)28-18-4-5-21(25)20(24)13-18;1-2/h4-5,10,12-14,16H,3,6-9,11H2,1-2H3,(H,26,27,28);1-2H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-[(1-ethylpiperidin-4-yl)methyl]-7-methylquinazolin-4-amine;ethane?
N-(3-chloro-4-fluorophenyl)-6-[(1-ethylpiperidin-4-yl)methyl]-7-methylquinazolin-4-amine;ethane has a molecular weight of 443.01 g/mol, XLogP of 6.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-[(1-ethylpiperidin-4-yl)methyl]-7-methylquinazolin-4-amine;ethane is sourced from PubChem (CID 142811085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).