N-(3-chloro-4-fluorophenyl)-8-methyl-6-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine

C25H23ClFN5O — CID 71180599

IUPACN-(3-chloro-4-fluorophenyl)-8-methyl-6-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCc1cc(CN2CCOCC2)cc2c(Nc3ccc(F)c(Cl)c3)nc(-c3cccnc3)nc12
InChIInChI=1S/C25H23ClFN5O/c1-16-11-17(15-32-7-9-33-10-8-32)12-20-23(16)30-24(18-3-2-6-28-14-18)31-25(20)29-19-4-5-22(27)21(26)13-19/h2-6,11-14H,7-10,15H2,1H3,(H,29,30,31)
InChIKeyOWLQNSJOOICHLM-UHFFFAOYSA-N
MW463.94 g/mol
LogP5.37
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-8-methyl-6-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-8-methyl-6-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71180599) has the molecular formula C25H23ClFN5O and a molecular weight of 463.94 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-8-methyl-6-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-8-methyl-6-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71180599
Molecular FormulaC25H23ClFN5O
Molecular Weight463.94 g/mol
Exact Mass463.16
IUPAC NameN-(3-chloro-4-fluorophenyl)-8-methyl-6-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCc1cc(CN2CCOCC2)cc2c(Nc3ccc(F)c(Cl)c3)nc(-c3cccnc3)nc12
InChIInChI=1S/C25H23ClFN5O/c1-16-11-17(15-32-7-9-33-10-8-32)12-20-23(16)30-24(18-3-2-6-28-14-18)31-25(20)29-19-4-5-22(27)21(26)13-19/h2-6,11-14H,7-10,15H2,1H3,(H,29,30,31)
InChIKeyOWLQNSJOOICHLM-UHFFFAOYSA-N
XLogP5.37
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.94
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-chloro-4-fluorophenyl)-8-methyl-6-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine with MolForge

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Related Compounds

6-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180077
4-N-(3-chloro-4-fluorophenyl)-7-N-(oxan-4-yl)-2-pyridin-3-ylquinazoline-4,7-diamine
CID 71180955
N-(3,4-difluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180072
6-chloro-N-(3,5-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180045
8-chloro-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180050
N-(3-chloro-4-fluorophenyl)-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69179588
3-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-7-yl]propan-1-ol
CID 71181124
4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide
CID 71180244
4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-7-carbaldehyde;4-methyl-1,4-thiazinane 1-oxide
CID 144501243
4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide
CID 71180061
[4-(4-fluoro-3-methylanilino)-6-methoxy-2-pyridin-3-ylquinazolin-7-yl]-morpholin-4-ylmethanone
CID 144501047
N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-2-ylquinazolin-4-amine
CID 71274188

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-8-methyl-6-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-8-methyl-6-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine (CID 71180599) is N-(3-chloro-4-fluorophenyl)-8-methyl-6-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-8-methyl-6-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-8-methyl-6-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine is Cc1cc(CN2CCOCC2)cc2c(Nc3ccc(F)c(Cl)c3)nc(-c3cccnc3)nc12.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-8-methyl-6-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is OWLQNSJOOICHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O/c1-16-11-17(15-32-7-9-33-10-8-32)12-20-23(16)30-24(18-3-2-6-28-14-18)31-25(20)29-19-4-5-22(27)21(26)13-19/h2-6,11-14H,7-10,15H2,1H3,(H,29,30,31).
What are the key properties of N-(3-chloro-4-fluorophenyl)-8-methyl-6-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-8-methyl-6-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 463.94 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-8-methyl-6-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71180599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).