N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)quinazolin-4-amine

C31H27ClFN5O2 — CID 127035117

IUPACN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)quinazolin-4-amine
SMILESCc1cc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)cnc1N1CCOCC1
InChIInChI=1S/C31H27ClFN5O2/c1-20-13-23(17-34-31(20)38-9-11-39-12-10-38)22-5-7-28-26(15-22)30(36-19-35-28)37-25-6-8-29(27(32)16-25)40-18-21-3-2-4-24(33)14-21/h2-8,13-17,19H,9-12,18H2,1H3,(H,35,36,37)
InChIKeyHRBMFIZMLCJDNJ-UHFFFAOYSA-N
MW556.04 g/mol
LogP6.95
Rot. Bonds7

About N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)quinazolin-4-amine

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)quinazolin-4-amine (PubChem CID 127035117) has the molecular formula C31H27ClFN5O2 and a molecular weight of 556.04 g/mol. Its IUPAC name is N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)quinazolin-4-amine
PubChem CID127035117
Molecular FormulaC31H27ClFN5O2
Molecular Weight556.04 g/mol
Exact Mass555.18
IUPAC NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)quinazolin-4-amine
SMILESCc1cc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)cnc1N1CCOCC1
InChIInChI=1S/C31H27ClFN5O2/c1-20-13-23(17-34-31(20)38-9-11-39-12-10-38)22-5-7-28-26(15-22)30(36-19-35-28)37-25-6-8-29(27(32)16-25)40-18-21-3-2-4-24(33)14-21/h2-8,13-17,19H,9-12,18H2,1H3,(H,35,36,37)
InChIKeyHRBMFIZMLCJDNJ-UHFFFAOYSA-N
XLogP6.95
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.04
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)quinazolin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)quinazolin-4-amine?
The IUPAC name of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)quinazolin-4-amine (CID 127035117) is N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)quinazolin-4-amine.
What is the SMILES notation for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)quinazolin-4-amine?
The canonical SMILES for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)quinazolin-4-amine is Cc1cc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)cnc1N1CCOCC1.
What is the InChIKey of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)quinazolin-4-amine?
The InChIKey is HRBMFIZMLCJDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27ClFN5O2/c1-20-13-23(17-34-31(20)38-9-11-39-12-10-38)22-5-7-28-26(15-22)30(36-19-35-28)37-25-6-8-29(27(32)16-25)40-18-21-3-2-4-24(33)14-21/h2-8,13-17,19H,9-12,18H2,1H3,(H,35,36,37).
What are the key properties of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)quinazolin-4-amine?
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)quinazolin-4-amine has a molecular weight of 556.04 g/mol, XLogP of 6.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)quinazolin-4-amine is sourced from PubChem (CID 127035117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).