N-[3-[(4-amino-6,7-dimethylquinazolin-2-yl)-methylamino]propyl]pyrrolidine-2-carboxamide

C19H28N6O — CID 143494263

IUPACN-[3-[(4-amino-6,7-dimethylquinazolin-2-yl)-methylamino]propyl]pyrrolidine-2-carboxamide
SMILESCc1cc2nc(N(C)CCCNC(=O)C3CCCN3)nc(N)c2cc1C
InChIInChI=1S/C19H28N6O/c1-12-10-14-16(11-13(12)2)23-19(24-17(14)20)25(3)9-5-8-22-18(26)15-6-4-7-21-15/h10-11,15,21H,4-9H2,1-3H3,(H,22,26)(H2,20,23,24)
InChIKeyZDKLENYBMFFUNS-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.52
Rot. Bonds6

About N-[3-[(4-amino-6,7-dimethylquinazolin-2-yl)-methylamino]propyl]pyrrolidine-2-carboxamide

N-[3-[(4-amino-6,7-dimethylquinazolin-2-yl)-methylamino]propyl]pyrrolidine-2-carboxamide (PubChem CID 143494263) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[3-[(4-amino-6,7-dimethylquinazolin-2-yl)-methylamino]propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-amino-6,7-dimethylquinazolin-2-yl)-methylamino]propyl]pyrrolidine-2-carboxamide
PubChem CID143494263
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-[3-[(4-amino-6,7-dimethylquinazolin-2-yl)-methylamino]propyl]pyrrolidine-2-carboxamide
SMILESCc1cc2nc(N(C)CCCNC(=O)C3CCCN3)nc(N)c2cc1C
InChIInChI=1S/C19H28N6O/c1-12-10-14-16(11-13(12)2)23-19(24-17(14)20)25(3)9-5-8-22-18(26)15-6-4-7-21-15/h10-11,15,21H,4-9H2,1-3H3,(H,22,26)(H2,20,23,24)
InChIKeyZDKLENYBMFFUNS-UHFFFAOYSA-N
XLogP1.52
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[4-amino-6,7-bis(trideuteriomethoxy)quinazolin-2-yl]-methylamino]propyl]oxolane-2-carboxamide;hydrochloride
CID 76973780
(2S)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 62641676
ethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride
CID 119290932
(2S)-N-[3-(dipropylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081502
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
(2S)-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 61260470
N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83632123
N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82495808
N-[3-(N-ethylanilino)propyl]pyrrolidine-2-carboxamide
CID 60717546
N-[4-(dimethylamino)-4-oxobutyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119303011
N,2-dideuterio-N-[3-[[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]-methylamino]propyl]oxolane-2-carboxamide
CID 25235655
N-[3-(3,5-difluorophenyl)propyl]pyrrolidine-2-carboxamide
CID 91660203

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-amino-6,7-dimethylquinazolin-2-yl)-methylamino]propyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-[(4-amino-6,7-dimethylquinazolin-2-yl)-methylamino]propyl]pyrrolidine-2-carboxamide (CID 143494263) is N-[3-[(4-amino-6,7-dimethylquinazolin-2-yl)-methylamino]propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-[(4-amino-6,7-dimethylquinazolin-2-yl)-methylamino]propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-[(4-amino-6,7-dimethylquinazolin-2-yl)-methylamino]propyl]pyrrolidine-2-carboxamide is Cc1cc2nc(N(C)CCCNC(=O)C3CCCN3)nc(N)c2cc1C.
What is the InChIKey of N-[3-[(4-amino-6,7-dimethylquinazolin-2-yl)-methylamino]propyl]pyrrolidine-2-carboxamide?
The InChIKey is ZDKLENYBMFFUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-12-10-14-16(11-13(12)2)23-19(24-17(14)20)25(3)9-5-8-22-18(26)15-6-4-7-21-15/h10-11,15,21H,4-9H2,1-3H3,(H,22,26)(H2,20,23,24).
What are the key properties of N-[3-[(4-amino-6,7-dimethylquinazolin-2-yl)-methylamino]propyl]pyrrolidine-2-carboxamide?
N-[3-[(4-amino-6,7-dimethylquinazolin-2-yl)-methylamino]propyl]pyrrolidine-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-amino-6,7-dimethylquinazolin-2-yl)-methylamino]propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 143494263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).