N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-amine

C22H24ClFN4O2 — CID 19077507

IUPACN-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCCCC1
InChIInChI=1S/C22H24ClFN4O2/c1-29-20-13-19-16(12-21(20)30-10-9-28-7-3-2-4-8-28)22(26-14-25-19)27-15-5-6-18(24)17(23)11-15/h5-6,11-14H,2-4,7-10H2,1H3,(H,25,26,27)
InChIKeyQXZNYTGAAOAYAM-UHFFFAOYSA-N
MW430.91 g/mol
LogP5.04
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-amine (PubChem CID 19077507) has the molecular formula C22H24ClFN4O2 and a molecular weight of 430.91 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-amine
PubChem CID19077507
Molecular FormulaC22H24ClFN4O2
Molecular Weight430.91 g/mol
Exact Mass430.16
IUPAC NameN-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCCCC1
InChIInChI=1S/C22H24ClFN4O2/c1-29-20-13-19-16(12-21(20)30-10-9-28-7-3-2-4-8-28)22(26-14-25-19)27-15-5-6-18(24)17(23)11-15/h5-6,11-14H,2-4,7-10H2,1H3,(H,25,26,27)
InChIKeyQXZNYTGAAOAYAM-UHFFFAOYSA-N
XLogP5.04
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.91
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-amine (CID 19077507) is N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-amine is COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCCCC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-amine?
The InChIKey is QXZNYTGAAOAYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O2/c1-29-20-13-19-16(12-21(20)30-10-9-28-7-3-2-4-8-28)22(26-14-25-19)27-15-5-6-18(24)17(23)11-15/h5-6,11-14H,2-4,7-10H2,1H3,(H,25,26,27).
What are the key properties of N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-amine has a molecular weight of 430.91 g/mol, XLogP of 5.04, 7 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)-7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-amine is sourced from PubChem (CID 19077507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).