2-[(4-hydroxycyclohexyl)amino]-N-(3-pyrazol-1-ylpropyl)quinazoline-7-carboxamide

C21H26N6O2 — CID 58082427

IUPAC2-[(4-hydroxycyclohexyl)amino]-N-(3-pyrazol-1-ylpropyl)quinazoline-7-carboxamide
SMILESO=C(NCCCn1cccn1)c1ccc2cnc(NC3CCC(O)CC3)nc2c1
InChIInChI=1S/C21H26N6O2/c28-18-7-5-17(6-8-18)25-21-23-14-16-4-3-15(13-19(16)26-21)20(29)22-9-1-11-27-12-2-10-24-27/h2-4,10,12-14,17-18,28H,1,5-9,11H2,(H,22,29)(H,23,25,26)
InChIKeyUCYXNPGZGZXRNW-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.36
Rot. Bonds7

About 2-[(4-hydroxycyclohexyl)amino]-N-(3-pyrazol-1-ylpropyl)quinazoline-7-carboxamide

2-[(4-hydroxycyclohexyl)amino]-N-(3-pyrazol-1-ylpropyl)quinazoline-7-carboxamide (PubChem CID 58082427) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-N-(3-pyrazol-1-ylpropyl)quinazoline-7-carboxamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-N-(3-pyrazol-1-ylpropyl)quinazoline-7-carboxamide
PubChem CID58082427
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-N-(3-pyrazol-1-ylpropyl)quinazoline-7-carboxamide
SMILESO=C(NCCCn1cccn1)c1ccc2cnc(NC3CCC(O)CC3)nc2c1
InChIInChI=1S/C21H26N6O2/c28-18-7-5-17(6-8-18)25-21-23-14-16-4-3-15(13-19(16)26-21)20(29)22-9-1-11-27-12-2-10-24-27/h2-4,10,12-14,17-18,28H,1,5-9,11H2,(H,22,29)(H,23,25,26)
InChIKeyUCYXNPGZGZXRNW-UHFFFAOYSA-N
XLogP2.36
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-hydroxycyclohexyl)amino]-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide
CID 58082640
2-[(4-hydroxycyclohexyl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazoline-7-carboxamide
CID 58082159
2-[(4-hydroxycyclohexyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]quinazoline-7-carboxamide
CID 58082242
2-[(4-hydroxycyclohexyl)amino]-N-(2-propan-2-ylpyrimidin-5-yl)quinazoline-7-carboxamide
CID 58082291
2-cyclohexyl-N-(3-pyrazol-1-ylpropyl)-1,3-benzoxazole-6-carboxamide
CID 25382694
3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 56852480
2-[(4-hydroxycyclohexyl)amino]-N-(1-pyrazol-1-ylpropan-2-yl)quinazoline-8-carboxamide
CID 58082595
N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 111429668
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 112684462

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-(3-pyrazol-1-ylpropyl)quinazoline-7-carboxamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-(3-pyrazol-1-ylpropyl)quinazoline-7-carboxamide (CID 58082427) is 2-[(4-hydroxycyclohexyl)amino]-N-(3-pyrazol-1-ylpropyl)quinazoline-7-carboxamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-N-(3-pyrazol-1-ylpropyl)quinazoline-7-carboxamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-N-(3-pyrazol-1-ylpropyl)quinazoline-7-carboxamide is O=C(NCCCn1cccn1)c1ccc2cnc(NC3CCC(O)CC3)nc2c1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-N-(3-pyrazol-1-ylpropyl)quinazoline-7-carboxamide?
The InChIKey is UCYXNPGZGZXRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c28-18-7-5-17(6-8-18)25-21-23-14-16-4-3-15(13-19(16)26-21)20(29)22-9-1-11-27-12-2-10-24-27/h2-4,10,12-14,17-18,28H,1,5-9,11H2,(H,22,29)(H,23,25,26).
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-N-(3-pyrazol-1-ylpropyl)quinazoline-7-carboxamide?
2-[(4-hydroxycyclohexyl)amino]-N-(3-pyrazol-1-ylpropyl)quinazoline-7-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-N-(3-pyrazol-1-ylpropyl)quinazoline-7-carboxamide is sourced from PubChem (CID 58082427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).