N-(4-hydroxycyclohexyl)-4-(quinazolin-4-ylamino)butanamide

C18H24N4O2 — CID 110436172

IUPACN-(4-hydroxycyclohexyl)-4-(quinazolin-4-ylamino)butanamide
SMILESO=C(CCCNc1ncnc2ccccc12)NC1CCC(O)CC1
InChIInChI=1S/C18H24N4O2/c23-14-9-7-13(8-10-14)22-17(24)6-3-11-19-18-15-4-1-2-5-16(15)20-12-21-18/h1-2,4-5,12-14,23H,3,6-11H2,(H,22,24)(H,19,20,21)
InChIKeyKSTMMOVUBWUETB-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.24
Rot. Bonds6

About N-(4-hydroxycyclohexyl)-4-(quinazolin-4-ylamino)butanamide

N-(4-hydroxycyclohexyl)-4-(quinazolin-4-ylamino)butanamide (PubChem CID 110436172) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-4-(quinazolin-4-ylamino)butanamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-4-(quinazolin-4-ylamino)butanamide
PubChem CID110436172
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(4-hydroxycyclohexyl)-4-(quinazolin-4-ylamino)butanamide
SMILESO=C(CCCNc1ncnc2ccccc12)NC1CCC(O)CC1
InChIInChI=1S/C18H24N4O2/c23-14-9-7-13(8-10-14)22-17(24)6-3-11-19-18-15-4-1-2-5-16(15)20-12-21-18/h1-2,4-5,12-14,23H,3,6-11H2,(H,22,24)(H,19,20,21)
InChIKeyKSTMMOVUBWUETB-UHFFFAOYSA-N
XLogP2.24
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-3-(quinazolin-4-ylamino)propanamide
CID 110436099
4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol
CID 106130913
N-(pyridin-2-ylmethyl)-4-(quinazolin-4-ylamino)butanamide
CID 110436147
N-butan-2-yl-4-(quinazolin-4-ylamino)butanamide
CID 110436131
N-cyclopropyl-4-[(4-methylphthalazin-1-yl)amino]butanamide
CID 112730869
N-[3-(dimethylamino)propyl]-4-(quinazolin-4-ylamino)butanamide
CID 110436139
N-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanamide
CID 112730894
N,N-bis(2-methoxyethyl)-4-(quinazolin-4-ylamino)butanamide
CID 110436988
N-cyclopropyl-4-[(5-iodopyrimidin-4-yl)amino]butanamide
CID 79401058
4-[(3-chloro-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 79401819
N-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide
CID 114598970
N-tert-butyl-3-(quinazolin-4-ylamino)propanamide
CID 115609152

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-4-(quinazolin-4-ylamino)butanamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-4-(quinazolin-4-ylamino)butanamide (CID 110436172) is N-(4-hydroxycyclohexyl)-4-(quinazolin-4-ylamino)butanamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-4-(quinazolin-4-ylamino)butanamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-4-(quinazolin-4-ylamino)butanamide is O=C(CCCNc1ncnc2ccccc12)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-4-(quinazolin-4-ylamino)butanamide?
The InChIKey is KSTMMOVUBWUETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-14-9-7-13(8-10-14)22-17(24)6-3-11-19-18-15-4-1-2-5-16(15)20-12-21-18/h1-2,4-5,12-14,23H,3,6-11H2,(H,22,24)(H,19,20,21).
What are the key properties of N-(4-hydroxycyclohexyl)-4-(quinazolin-4-ylamino)butanamide?
N-(4-hydroxycyclohexyl)-4-(quinazolin-4-ylamino)butanamide has a molecular weight of 328.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-4-(quinazolin-4-ylamino)butanamide is sourced from PubChem (CID 110436172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).