4-(2-chloropyrimidin-4-yl)-N-cyano-N'-quinolin-5-ylpiperazine-1-carboximidamide

C19H17ClN8 — CID 59689427

IUPAC4-(2-chloropyrimidin-4-yl)-N-cyano-N'-quinolin-5-ylpiperazine-1-carboximidamide
SMILESN#CN/C(=N\c1cccc2ncccc12)N1CCN(c2ccnc(Cl)n2)CC1
InChIInChI=1S/C19H17ClN8/c20-18-23-8-6-17(26-18)27-9-11-28(12-10-27)19(24-13-21)25-16-5-1-4-15-14(16)3-2-7-22-15/h1-8H,9-12H2,(H,24,25)
InChIKeyVCJOYGZTMQSHJP-UHFFFAOYSA-N
MW392.85 g/mol
LogP2.56
Rot. Bonds2

About 4-(2-chloropyrimidin-4-yl)-N-cyano-N'-quinolin-5-ylpiperazine-1-carboximidamide

4-(2-chloropyrimidin-4-yl)-N-cyano-N'-quinolin-5-ylpiperazine-1-carboximidamide (PubChem CID 59689427) has the molecular formula C19H17ClN8 and a molecular weight of 392.85 g/mol. Its IUPAC name is 4-(2-chloropyrimidin-4-yl)-N-cyano-N'-quinolin-5-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(2-chloropyrimidin-4-yl)-N-cyano-N'-quinolin-5-ylpiperazine-1-carboximidamide
PubChem CID59689427
Molecular FormulaC19H17ClN8
Molecular Weight392.85 g/mol
Exact Mass392.13
IUPAC Name4-(2-chloropyrimidin-4-yl)-N-cyano-N'-quinolin-5-ylpiperazine-1-carboximidamide
SMILESN#CN/C(=N\c1cccc2ncccc12)N1CCN(c2ccnc(Cl)n2)CC1
InChIInChI=1S/C19H17ClN8/c20-18-23-8-6-17(26-18)27-9-11-28(12-10-27)19(24-13-21)25-16-5-1-4-15-14(16)3-2-7-22-15/h1-8H,9-12H2,(H,24,25)
InChIKeyVCJOYGZTMQSHJP-UHFFFAOYSA-N
XLogP2.56
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-(2-chloropyrimidin-4-yl)-N-cyano-N'-quinolin-5-ylpiperazine-1-carboximidamide with MolForge

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Launch Full Analysis

Related Compounds

4-(6-chloro-2-pyridinyl)-N-cyano-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide
CID 59690036
4-(2-chloropyrimidin-4-yl)-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide
CID 143604545
4-(2-amino-6-chloropyrimidin-4-yl)-N-cyano-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide
CID 59690292
N-cyano-4-[2-(2-methoxyethylamino)pyrimidin-4-yl]-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide
CID 59690211
N-(4-chlorophenyl)-4-(N-cyano-N'-quinolin-5-ylcarbamimidoyl)-3-cyclopropylpiperazine-1-carboxamide
CID 59690075
(2R)-N-cyano-4-(2,6-diaminopyrimidin-4-yl)-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide
CID 59689780
4-(6-bromopyridazin-3-yl)-N-cyano-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide
CID 59689714
acetic acid;methyl 3-[[[4-(2-chloropyrimidin-4-yl)-2-propan-2-ylpiperazin-1-yl]-(cyanoamino)methylidene]amino]-2-methylbenzoate
CID 158529541
N-cyano-4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide
CID 59690135
(3S)-4-(N-cyano-N'-quinolin-5-ylcarbamimidoyl)-N-(3-fluorophenyl)-3-propan-2-ylpiperazine-1-carboxamide
CID 59689576
N-cyano-4-[4-(2-morpholin-4-ylethylamino)quinazolin-2-yl]-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide
CID 59690044
5-[4-(N-cyano-N'-quinolin-5-ylcarbamimidoyl)-3-propan-2-ylpiperazin-1-yl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 59689651

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloropyrimidin-4-yl)-N-cyano-N'-quinolin-5-ylpiperazine-1-carboximidamide?
The IUPAC name of 4-(2-chloropyrimidin-4-yl)-N-cyano-N'-quinolin-5-ylpiperazine-1-carboximidamide (CID 59689427) is 4-(2-chloropyrimidin-4-yl)-N-cyano-N'-quinolin-5-ylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-(2-chloropyrimidin-4-yl)-N-cyano-N'-quinolin-5-ylpiperazine-1-carboximidamide?
The canonical SMILES for 4-(2-chloropyrimidin-4-yl)-N-cyano-N'-quinolin-5-ylpiperazine-1-carboximidamide is N#CN/C(=N\c1cccc2ncccc12)N1CCN(c2ccnc(Cl)n2)CC1.
What is the InChIKey of 4-(2-chloropyrimidin-4-yl)-N-cyano-N'-quinolin-5-ylpiperazine-1-carboximidamide?
The InChIKey is VCJOYGZTMQSHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN8/c20-18-23-8-6-17(26-18)27-9-11-28(12-10-27)19(24-13-21)25-16-5-1-4-15-14(16)3-2-7-22-15/h1-8H,9-12H2,(H,24,25).
What are the key properties of 4-(2-chloropyrimidin-4-yl)-N-cyano-N'-quinolin-5-ylpiperazine-1-carboximidamide?
4-(2-chloropyrimidin-4-yl)-N-cyano-N'-quinolin-5-ylpiperazine-1-carboximidamide has a molecular weight of 392.85 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloropyrimidin-4-yl)-N-cyano-N'-quinolin-5-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 59689427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).