4-(quinazolin-4-ylamino)cyclohexane-1-carboxamide

C15H18N4O — CID 61043396

IUPAC4-(quinazolin-4-ylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(Nc2ncnc3ccccc23)CC1
InChIInChI=1S/C15H18N4O/c16-14(20)10-5-7-11(8-6-10)19-15-12-3-1-2-4-13(12)17-9-18-15/h1-4,9-11H,5-8H2,(H2,16,20)(H,17,18,19)
InChIKeyMDKJSKCUDQOOGS-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.09
Rot. Bonds3

About 4-(quinazolin-4-ylamino)cyclohexane-1-carboxamide

4-(quinazolin-4-ylamino)cyclohexane-1-carboxamide (PubChem CID 61043396) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-(quinazolin-4-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(quinazolin-4-ylamino)cyclohexane-1-carboxamide
PubChem CID61043396
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-(quinazolin-4-ylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(Nc2ncnc3ccccc23)CC1
InChIInChI=1S/C15H18N4O/c16-14(20)10-5-7-11(8-6-10)19-15-12-3-1-2-4-13(12)17-9-18-15/h1-4,9-11H,5-8H2,(H2,16,20)(H,17,18,19)
InChIKeyMDKJSKCUDQOOGS-UHFFFAOYSA-N
XLogP2.09
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-oxothian-4-yl)quinazolin-4-amine
CID 104576518
N-[4-(2-aminoethyl)cyclohexyl]quinazolin-4-amine
CID 143957231
2-methyl-1-[4-(quinazolin-4-ylamino)piperidin-1-yl]propan-1-one
CID 39165581
N-(1,1-dioxothiolan-3-yl)quinazolin-4-amine
CID 20999363
N-(3-ethoxycyclobutyl)quinazolin-4-amine
CID 102609150
N-(3-tricyclo[3.2.1.02,4]octanyl)quinazolin-4-amine
CID 103765143
N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]quinazolin-4-amine
CID 133311667
N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinazolin-4-amine
CID 95290576
4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol
CID 64587470
quinazolin-4-ylthiourea
CID 22649288
2-[4-[(4-methylcyclohexyl)amino]quinazolin-6-yl]oxyacetamide
CID 146237653
N-cyclopropyl-2-hydrazinylquinazolin-4-amine
CID 80932837

Frequently Asked Questions

What is the IUPAC name of 4-(quinazolin-4-ylamino)cyclohexane-1-carboxamide?
The IUPAC name of 4-(quinazolin-4-ylamino)cyclohexane-1-carboxamide (CID 61043396) is 4-(quinazolin-4-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(quinazolin-4-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(quinazolin-4-ylamino)cyclohexane-1-carboxamide is NC(=O)C1CCC(Nc2ncnc3ccccc23)CC1.
What is the InChIKey of 4-(quinazolin-4-ylamino)cyclohexane-1-carboxamide?
The InChIKey is MDKJSKCUDQOOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-14(20)10-5-7-11(8-6-10)19-15-12-3-1-2-4-13(12)17-9-18-15/h1-4,9-11H,5-8H2,(H2,16,20)(H,17,18,19).
What are the key properties of 4-(quinazolin-4-ylamino)cyclohexane-1-carboxamide?
4-(quinazolin-4-ylamino)cyclohexane-1-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinazolin-4-ylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 61043396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).