1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]pyrrolidin-2-one

C19H16ClFN4O2 — CID 141440637

IUPAC1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]pyrrolidin-2-one
SMILESCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1N1CCCC1=O
InChIInChI=1S/C19H16ClFN4O2/c1-27-17-9-15-12(8-16(17)25-6-2-3-18(25)26)19(23-10-22-15)24-11-4-5-14(21)13(20)7-11/h4-5,7-10H,2-3,6H2,1H3,(H,22,23,24)
InChIKeyLRBYMFWWFGMADG-UHFFFAOYSA-N
MW386.81 g/mol
LogP4.30
Rot. Bonds4

About 1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]pyrrolidin-2-one

1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]pyrrolidin-2-one (PubChem CID 141440637) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is 1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]pyrrolidin-2-one
PubChem CID141440637
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC Name1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]pyrrolidin-2-one
SMILESCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1N1CCCC1=O
InChIInChI=1S/C19H16ClFN4O2/c1-27-17-9-15-12(8-16(17)25-6-2-3-18(25)26)19(23-10-22-15)24-11-4-5-14(21)13(20)7-11/h4-5,7-10H,2-3,6H2,1H3,(H,22,23,24)
InChIKeyLRBYMFWWFGMADG-UHFFFAOYSA-N
XLogP4.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 19077516
1-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]pyrrolidin-2-one
CID 19001467
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
1-azabicyclo[2.1.0]pentane;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazoline-6-thiol
CID 175053931
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-prop-2-enoxyquinazolin-4-amine
CID 21098401
4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]-1,4-oxazepan-7-one
CID 123993627
N-(3-chloro-4-fluorophenyl)-6-(ethoxymethoxy)-7-methoxyquinazolin-4-amine
CID 150119813
1-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]-3-methylimidazolidin-2-one
CID 20819661
4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-methylpiperidine-1-carboxamide
CID 20819693
4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]morpholin-2-one
CID 118714999
(E)-1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-3-fluoro-5-piperidin-1-ylpent-3-en-2-one
CID 161273586

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]pyrrolidin-2-one (CID 141440637) is 1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]pyrrolidin-2-one is COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1N1CCCC1=O.
What is the InChIKey of 1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]pyrrolidin-2-one?
The InChIKey is LRBYMFWWFGMADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c1-27-17-9-15-12(8-16(17)25-6-2-3-18(25)26)19(23-10-22-15)24-11-4-5-14(21)13(20)7-11/h4-5,7-10H,2-3,6H2,1H3,(H,22,23,24).
What are the key properties of 1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]pyrrolidin-2-one?
1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]pyrrolidin-2-one has a molecular weight of 386.81 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]pyrrolidin-2-one is sourced from PubChem (CID 141440637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).