[4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone

C20H19ClN4O2 — CID 42809343

IUPAC[4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2nc(C3CC3)nc3cc(Cl)ccc23)CC1
InChIInChI=1S/C20H19ClN4O2/c21-14-5-6-15-16(12-14)22-18(13-3-4-13)23-19(15)24-7-9-25(10-8-24)20(26)17-2-1-11-27-17/h1-2,5-6,11-13H,3-4,7-10H2
InChIKeyAFFVNUPFYXCHBQ-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.72
Rot. Bonds3

About [4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 42809343) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is [4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID42809343
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name[4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2nc(C3CC3)nc3cc(Cl)ccc23)CC1
InChIInChI=1S/C20H19ClN4O2/c21-14-5-6-15-16(12-14)22-18(13-3-4-13)23-19(15)24-7-9-25(10-8-24)20(26)17-2-1-11-27-17/h1-2,5-6,11-13H,3-4,7-10H2
InChIKeyAFFVNUPFYXCHBQ-UHFFFAOYSA-N
XLogP3.72
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[7-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 46133830
[4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-cyclopropylmethanone
CID 42809373
[4-[(7-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 126464600
[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 171334935
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
[4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 46259650
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
[4-(6-chloro-2-cyclobutylquinazolin-4-yl)piperazin-1-yl]-pyrimidin-5-ylmethanone
CID 171988066
[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 42852416
[4-(6-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38908871
[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 30339776
2-(2,5-dichlorophenyl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 2350113

Frequently Asked Questions

What is the IUPAC name of [4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone (CID 42809343) is [4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(c2nc(C3CC3)nc3cc(Cl)ccc23)CC1.
What is the InChIKey of [4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is AFFVNUPFYXCHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c21-14-5-6-15-16(12-14)22-18(13-3-4-13)23-19(15)24-7-9-25(10-8-24)20(26)17-2-1-11-27-17/h1-2,5-6,11-13H,3-4,7-10H2.
What are the key properties of [4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 382.85 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 42809343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).