(2S)-4-[(8-chloroquinolin-2-yl)methyl]-N-cyclopropylpiperazine-2-carboxamide

C18H21ClN4O — CID 95721592

IUPAC(2S)-4-[(8-chloroquinolin-2-yl)methyl]-N-cyclopropylpiperazine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CN(Cc2ccc3cccc(Cl)c3n2)CCN1
InChIInChI=1S/C18H21ClN4O/c19-15-3-1-2-12-4-5-14(21-17(12)15)10-23-9-8-20-16(11-23)18(24)22-13-6-7-13/h1-5,13,16,20H,6-11H2,(H,22,24)/t16-/m0/s1
InChIKeyPTBWLJUBGPOMRU-INIZCTEOSA-N
MW344.85 g/mol
LogP1.94
Rot. Bonds4

About (2S)-4-[(8-chloroquinolin-2-yl)methyl]-N-cyclopropylpiperazine-2-carboxamide

(2S)-4-[(8-chloroquinolin-2-yl)methyl]-N-cyclopropylpiperazine-2-carboxamide (PubChem CID 95721592) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is (2S)-4-[(8-chloroquinolin-2-yl)methyl]-N-cyclopropylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[(8-chloroquinolin-2-yl)methyl]-N-cyclopropylpiperazine-2-carboxamide
PubChem CID95721592
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name(2S)-4-[(8-chloroquinolin-2-yl)methyl]-N-cyclopropylpiperazine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CN(Cc2ccc3cccc(Cl)c3n2)CCN1
InChIInChI=1S/C18H21ClN4O/c19-15-3-1-2-12-4-5-14(21-17(12)15)10-23-9-8-20-16(11-23)18(24)22-13-6-7-13/h1-5,13,16,20H,6-11H2,(H,22,24)/t16-/m0/s1
InChIKeyPTBWLJUBGPOMRU-INIZCTEOSA-N
XLogP1.94
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclopropyl-4-(2,2-diphenylethyl)piperazine-2-carboxamide
CID 95721803
N-cyclopropyl-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazine-2-carboxamide
CID 56909325
8-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline
CID 46958258
[1-[(8-chloroquinolin-2-yl)methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone
CID 23725741
8-chloro-2-[[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]quinoline
CID 92613141
(2S)-N-cyclopropyl-4-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methyl]piperazine-2-carboxamide
CID 95722154
1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide
CID 166602716
(2S)-4-benzyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide
CID 70975232
N-cyclopropyl-1-[1-(quinolin-2-ylmethyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42095769
(2S)-4-benzyl-N-[(1R)-1,2,3,4,5,6-hexahydronaphthalen-1-yl]piperazine-2-carboxamide
CID 143311626
(3S)-4-[(8-chloroquinolin-2-yl)methyl]-3-ethylpiperazin-2-one
CID 99935353
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
CID 43424739

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(8-chloroquinolin-2-yl)methyl]-N-cyclopropylpiperazine-2-carboxamide?
The IUPAC name of (2S)-4-[(8-chloroquinolin-2-yl)methyl]-N-cyclopropylpiperazine-2-carboxamide (CID 95721592) is (2S)-4-[(8-chloroquinolin-2-yl)methyl]-N-cyclopropylpiperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-[(8-chloroquinolin-2-yl)methyl]-N-cyclopropylpiperazine-2-carboxamide?
The canonical SMILES for (2S)-4-[(8-chloroquinolin-2-yl)methyl]-N-cyclopropylpiperazine-2-carboxamide is O=C(NC1CC1)[C@@H]1CN(Cc2ccc3cccc(Cl)c3n2)CCN1.
What is the InChIKey of (2S)-4-[(8-chloroquinolin-2-yl)methyl]-N-cyclopropylpiperazine-2-carboxamide?
The InChIKey is PTBWLJUBGPOMRU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21ClN4O/c19-15-3-1-2-12-4-5-14(21-17(12)15)10-23-9-8-20-16(11-23)18(24)22-13-6-7-13/h1-5,13,16,20H,6-11H2,(H,22,24)/t16-/m0/s1.
What are the key properties of (2S)-4-[(8-chloroquinolin-2-yl)methyl]-N-cyclopropylpiperazine-2-carboxamide?
(2S)-4-[(8-chloroquinolin-2-yl)methyl]-N-cyclopropylpiperazine-2-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(8-chloroquinolin-2-yl)methyl]-N-cyclopropylpiperazine-2-carboxamide is sourced from PubChem (CID 95721592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).