N-butan-2-yl-4-(quinazolin-4-ylamino)butanamide

C16H22N4O — CID 110436131

IUPACN-butan-2-yl-4-(quinazolin-4-ylamino)butanamide
SMILESCCC(C)NC(=O)CCCNc1ncnc2ccccc12
InChIInChI=1S/C16H22N4O/c1-3-12(2)20-15(21)9-6-10-17-16-13-7-4-5-8-14(13)18-11-19-16/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyDFMXMJXVIKQNNF-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.74
Rot. Bonds7

About N-butan-2-yl-4-(quinazolin-4-ylamino)butanamide

N-butan-2-yl-4-(quinazolin-4-ylamino)butanamide (PubChem CID 110436131) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-butan-2-yl-4-(quinazolin-4-ylamino)butanamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(quinazolin-4-ylamino)butanamide
PubChem CID110436131
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-butan-2-yl-4-(quinazolin-4-ylamino)butanamide
SMILESCCC(C)NC(=O)CCCNc1ncnc2ccccc12
InChIInChI=1S/C16H22N4O/c1-3-12(2)20-15(21)9-6-10-17-16-13-7-4-5-8-14(13)18-11-19-16/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyDFMXMJXVIKQNNF-UHFFFAOYSA-N
XLogP2.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-4-(quinazolin-4-ylamino)butanamide
CID 110436139
N-(pyridin-2-ylmethyl)-4-(quinazolin-4-ylamino)butanamide
CID 110436147
2-methyl-4-(quinazolin-4-ylamino)butanoic acid
CID 80539709
N-tert-butyl-3-(quinazolin-4-ylamino)propanamide
CID 115609152
N-(4-hydroxycyclohexyl)-4-(quinazolin-4-ylamino)butanamide
CID 110436172
N,N-bis(2-methoxyethyl)-4-(quinazolin-4-ylamino)butanamide
CID 110436988
2-amino-1-phenyl-7-(quinazolin-4-ylamino)heptan-4-one
CID 158822658
2-[(quinazolin-4-ylamino)methyl]butanoic acid
CID 65226835
N-propyl-2-(quinazolin-4-ylamino)acetamide
CID 39165546
N-(2-methylpropyl)-2-(quinazolin-4-ylamino)acetamide
CID 49226597
N-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide
CID 110437211
1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one
CID 47121012

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(quinazolin-4-ylamino)butanamide?
The IUPAC name of N-butan-2-yl-4-(quinazolin-4-ylamino)butanamide (CID 110436131) is N-butan-2-yl-4-(quinazolin-4-ylamino)butanamide.
What is the SMILES notation for N-butan-2-yl-4-(quinazolin-4-ylamino)butanamide?
The canonical SMILES for N-butan-2-yl-4-(quinazolin-4-ylamino)butanamide is CCC(C)NC(=O)CCCNc1ncnc2ccccc12.
What is the InChIKey of N-butan-2-yl-4-(quinazolin-4-ylamino)butanamide?
The InChIKey is DFMXMJXVIKQNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-12(2)20-15(21)9-6-10-17-16-13-7-4-5-8-14(13)18-11-19-16/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,20,21)(H,17,18,19).
What are the key properties of N-butan-2-yl-4-(quinazolin-4-ylamino)butanamide?
N-butan-2-yl-4-(quinazolin-4-ylamino)butanamide has a molecular weight of 286.38 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(quinazolin-4-ylamino)butanamide is sourced from PubChem (CID 110436131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).