6-[1-(1-amino-2-cyclopropylethyl)pyrrol-3-yl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine

C30H27ClFN5O — CID 174562892

IUPAC6-[1-(1-amino-2-cyclopropylethyl)pyrrol-3-yl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine
SMILESNC(CC1CC1)n1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)c1
InChIInChI=1S/C30H27ClFN5O/c31-26-15-24(7-9-28(26)38-17-20-2-1-3-23(32)12-20)36-30-25-14-21(6-8-27(25)34-18-35-30)22-10-11-37(16-22)29(33)13-19-4-5-19/h1-3,6-12,14-16,18-19,29H,4-5,13,17,33H2,(H,34,35,36)
InChIKeyYDTDPZMCIFSQQD-UHFFFAOYSA-N
MW528.03 g/mol
LogP7.47
Rot. Bonds9

About 6-[1-(1-amino-2-cyclopropylethyl)pyrrol-3-yl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine

6-[1-(1-amino-2-cyclopropylethyl)pyrrol-3-yl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine (PubChem CID 174562892) has the molecular formula C30H27ClFN5O and a molecular weight of 528.03 g/mol. Its IUPAC name is 6-[1-(1-amino-2-cyclopropylethyl)pyrrol-3-yl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[1-(1-amino-2-cyclopropylethyl)pyrrol-3-yl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine
PubChem CID174562892
Molecular FormulaC30H27ClFN5O
Molecular Weight528.03 g/mol
Exact Mass527.19
IUPAC Name6-[1-(1-amino-2-cyclopropylethyl)pyrrol-3-yl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine
SMILESNC(CC1CC1)n1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)c1
InChIInChI=1S/C30H27ClFN5O/c31-26-15-24(7-9-28(26)38-17-20-2-1-3-23(32)12-20)36-30-25-14-21(6-8-27(25)34-18-35-30)22-10-11-37(16-22)29(33)13-19-4-5-19/h1-3,6-12,14-16,18-19,29H,4-5,13,17,33H2,(H,34,35,36)
InChIKeyYDTDPZMCIFSQQD-UHFFFAOYSA-N
XLogP7.47
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.03
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[1-(1-amino-2-cyclopropylethyl)pyrrol-3-yl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]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

Related Compounds

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[1-(cyclopropylmethyl)pyrrol-3-yl]quinazolin-4-amine
CID 141179829
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[1-(oxetan-2-ylmethyl)pyrrol-3-yl]quinazolin-4-amine
CID 143748620
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[1-(pyrrolidin-3-ylmethyl)pyrrol-3-yl]quinazolin-4-amine
CID 143748679
1-[3-[3-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]pyrrol-1-yl]-2-hydroxypropyl]piperidine-4-carboxamide
CID 143748518
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-ethylphenyl)quinazolin-4-amine;ethane
CID 171539522
1-[3-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]pyrrol-1-yl]-3-(3,5-dimethylpiperazin-1-yl)propan-2-ol
CID 143748853
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-methylsulfonylphenyl)quinazolin-4-amine
CID 71662570
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-amine
CID 71662405
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(3-morpholin-4-ylphenyl)quinazolin-4-amine
CID 71663312
N-[1-[3-[3-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]pyrrol-1-yl]-2-hydroxypropyl]pyrrolidin-3-yl]acetamide
CID 143748807
1-[3-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]pyrrol-1-yl]-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
CID 143748447
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-quinolin-5-ylquinazolin-4-amine
CID 71662068

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-amino-2-cyclopropylethyl)pyrrol-3-yl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine?
The IUPAC name of 6-[1-(1-amino-2-cyclopropylethyl)pyrrol-3-yl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine (CID 174562892) is 6-[1-(1-amino-2-cyclopropylethyl)pyrrol-3-yl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine.
What is the SMILES notation for 6-[1-(1-amino-2-cyclopropylethyl)pyrrol-3-yl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine?
The canonical SMILES for 6-[1-(1-amino-2-cyclopropylethyl)pyrrol-3-yl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine is NC(CC1CC1)n1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)c1.
What is the InChIKey of 6-[1-(1-amino-2-cyclopropylethyl)pyrrol-3-yl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine?
The InChIKey is YDTDPZMCIFSQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClFN5O/c31-26-15-24(7-9-28(26)38-17-20-2-1-3-23(32)12-20)36-30-25-14-21(6-8-27(25)34-18-35-30)22-10-11-37(16-22)29(33)13-19-4-5-19/h1-3,6-12,14-16,18-19,29H,4-5,13,17,33H2,(H,34,35,36).
What are the key properties of 6-[1-(1-amino-2-cyclopropylethyl)pyrrol-3-yl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine?
6-[1-(1-amino-2-cyclopropylethyl)pyrrol-3-yl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine has a molecular weight of 528.03 g/mol, XLogP of 7.47, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-amino-2-cyclopropylethyl)pyrrol-3-yl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine is sourced from PubChem (CID 174562892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).