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

C19H21ClN4O — CID 42809373

IUPAC[4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN(c2nc(C3CC3)nc3cc(Cl)ccc23)CC1
InChIInChI=1S/C19H21ClN4O/c20-14-5-6-15-16(11-14)21-17(12-1-2-12)22-18(15)23-7-9-24(10-8-23)19(25)13-3-4-13/h5-6,11-13H,1-4,7-10H2
InChIKeyDDDLHHUZXQUZCJ-UHFFFAOYSA-N
MW356.86 g/mol
LogP3.22
Rot. Bonds3

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

[4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-cyclopropylmethanone (PubChem CID 42809373) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is [4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-cyclopropylmethanone
PubChem CID42809373
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name[4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN(c2nc(C3CC3)nc3cc(Cl)ccc23)CC1
InChIInChI=1S/C19H21ClN4O/c20-14-5-6-15-16(11-14)21-17(12-1-2-12)22-18(15)23-7-9-24(10-8-23)19(25)13-3-4-13/h5-6,11-13H,1-4,7-10H2
InChIKeyDDDLHHUZXQUZCJ-UHFFFAOYSA-N
XLogP3.22
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 42809343
[4-(6-chloro-2-cyclobutylquinazolin-4-yl)piperazin-1-yl]-pyrimidin-5-ylmethanone
CID 171988066
cyclopropyl-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 154882571
[4-(6-chloro-1,3-benzoxazol-2-yl)piperazin-1-yl]-cyclopropylmethanone
CID 171335973
[4-[8-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 46063841
4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674391
[4-(6-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 165435446
[4-(3-benzyl-8-chloro-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]-cyclobutylmethanone
CID 46063607
[4-[4-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-cyclopropylmethanone
CID 113080094
[4-(2,4-dichlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 143238076
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopentylmethanone
CID 43982262
[4-[7-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 46133830

Frequently Asked Questions

What is the IUPAC name of [4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-cyclopropylmethanone (CID 42809373) is [4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCN(c2nc(C3CC3)nc3cc(Cl)ccc23)CC1.
What is the InChIKey of [4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is DDDLHHUZXQUZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c20-14-5-6-15-16(11-14)21-17(12-1-2-12)22-18(15)23-7-9-24(10-8-23)19(25)13-3-4-13/h5-6,11-13H,1-4,7-10H2.
What are the key properties of [4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-cyclopropylmethanone?
[4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 356.86 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 42809373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).