N-[3-(dimethylamino)propyl]-4-(quinazolin-4-ylamino)butanamide

C17H25N5O — CID 110436139

IUPACN-[3-(dimethylamino)propyl]-4-(quinazolin-4-ylamino)butanamide
SMILESCN(C)CCCNC(=O)CCCNc1ncnc2ccccc12
InChIInChI=1S/C17H25N5O/c1-22(2)12-6-11-18-16(23)9-5-10-19-17-14-7-3-4-8-15(14)20-13-21-17/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyOXUKMJJEUBKDCI-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.89
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-4-(quinazolin-4-ylamino)butanamide

N-[3-(dimethylamino)propyl]-4-(quinazolin-4-ylamino)butanamide (PubChem CID 110436139) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-(quinazolin-4-ylamino)butanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-(quinazolin-4-ylamino)butanamide
PubChem CID110436139
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-[3-(dimethylamino)propyl]-4-(quinazolin-4-ylamino)butanamide
SMILESCN(C)CCCNC(=O)CCCNc1ncnc2ccccc12
InChIInChI=1S/C17H25N5O/c1-22(2)12-6-11-18-16(23)9-5-10-19-17-14-7-3-4-8-15(14)20-13-21-17/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyOXUKMJJEUBKDCI-UHFFFAOYSA-N
XLogP1.89
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-2-ylmethyl)-4-(quinazolin-4-ylamino)butanamide
CID 110436147
N-[3-(dimethylamino)propyl]quinazoline-4-carboxamide
CID 110702658
N-butan-2-yl-4-(quinazolin-4-ylamino)butanamide
CID 110436131
N,N-bis(2-methoxyethyl)-4-(quinazolin-4-ylamino)butanamide
CID 110436988
N-propyl-2-(quinazolin-4-ylamino)acetamide
CID 39165546
N-tert-butyl-3-(quinazolin-4-ylamino)propanamide
CID 115609152
N-(4-hydroxycyclohexyl)-4-(quinazolin-4-ylamino)butanamide
CID 110436172
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(quinazolin-4-ylamino)propanamide
CID 110436119
1-[3-(dimethylamino)propylamino]isoquinoline-4-carboxylic acid
CID 106766513
N-(2-methoxyphenyl)-3-(quinazolin-4-ylamino)propanamide
CID 110437187
N-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide
CID 110437211
2-amino-1-phenyl-7-(quinazolin-4-ylamino)heptan-4-one
CID 158822658

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-(quinazolin-4-ylamino)butanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-(quinazolin-4-ylamino)butanamide (CID 110436139) is N-[3-(dimethylamino)propyl]-4-(quinazolin-4-ylamino)butanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-(quinazolin-4-ylamino)butanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-(quinazolin-4-ylamino)butanamide is CN(C)CCCNC(=O)CCCNc1ncnc2ccccc12.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-(quinazolin-4-ylamino)butanamide?
The InChIKey is OXUKMJJEUBKDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-22(2)12-6-11-18-16(23)9-5-10-19-17-14-7-3-4-8-15(14)20-13-21-17/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,18,23)(H,19,20,21).
What are the key properties of N-[3-(dimethylamino)propyl]-4-(quinazolin-4-ylamino)butanamide?
N-[3-(dimethylamino)propyl]-4-(quinazolin-4-ylamino)butanamide has a molecular weight of 315.42 g/mol, XLogP of 1.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-(quinazolin-4-ylamino)butanamide is sourced from PubChem (CID 110436139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).