N-[3-[4-(dimethylamino)phenyl]propyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

C23H28N4O2 — CID 55619017

IUPACN-[3-[4-(dimethylamino)phenyl]propyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)NCCCc3ccc(N(C)C)cc3)cnc12
InChIInChI=1S/C23H28N4O2/c1-17-6-4-8-20-22(17)25-16-27(23(20)29)15-13-21(28)24-14-5-7-18-9-11-19(12-10-18)26(2)3/h4,6,8-12,16H,5,7,13-15H2,1-3H3,(H,24,28)
InChIKeyGUUPVTJQVONJCX-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.91
Rot. Bonds8

About N-[3-[4-(dimethylamino)phenyl]propyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

N-[3-[4-(dimethylamino)phenyl]propyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 55619017) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]propyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]propyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID55619017
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[3-[4-(dimethylamino)phenyl]propyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)NCCCc3ccc(N(C)C)cc3)cnc12
InChIInChI=1S/C23H28N4O2/c1-17-6-4-8-20-22(17)25-16-27(23(20)29)15-13-21(28)24-14-5-7-18-9-11-19(12-10-18)26(2)3/h4,6,8-12,16H,5,7,13-15H2,1-3H3,(H,24,28)
InChIKeyGUUPVTJQVONJCX-UHFFFAOYSA-N
XLogP2.91
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide
CID 24682780
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 55662614
N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26053992
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 51272641
N-[2-(4-ethoxyphenoxy)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 24559975
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 39394609
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446827
3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 39303958
N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide
CID 39723808
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 52663067
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 27016294
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 42947647

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (CID 55619017) is N-[3-[4-(dimethylamino)phenyl]propyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]propyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]propyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is Cc1cccc2c(=O)n(CCC(=O)NCCCc3ccc(N(C)C)cc3)cnc12.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]propyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is GUUPVTJQVONJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17-6-4-8-20-22(17)25-16-27(23(20)29)15-13-21(28)24-14-5-7-18-9-11-19(12-10-18)26(2)3/h4,6,8-12,16H,5,7,13-15H2,1-3H3,(H,24,28).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]propyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
N-[3-[4-(dimethylamino)phenyl]propyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 392.50 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]propyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 55619017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).