6-(3-aminopropoxy)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinazoline-4-carboxamide

C19H22N6O3 — CID 166472459

IUPAC6-(3-aminopropoxy)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinazoline-4-carboxamide
SMILESN#C[C@@H]1CCCN1C(=O)CNC(=O)c1ncnc2ccc(OCCCN)cc12
InChIInChI=1S/C19H22N6O3/c20-6-2-8-28-14-4-5-16-15(9-14)18(24-12-23-16)19(27)22-11-17(26)25-7-1-3-13(25)10-21/h4-5,9,12-13H,1-3,6-8,11,20H2,(H,22,27)/t13-/m0/s1
InChIKeyLJWVISTYZWTHGR-ZDUSSCGKSA-N
MW382.42 g/mol
LogP0.60
Rot. Bonds7

About 6-(3-aminopropoxy)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinazoline-4-carboxamide

6-(3-aminopropoxy)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinazoline-4-carboxamide (PubChem CID 166472459) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 6-(3-aminopropoxy)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name6-(3-aminopropoxy)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinazoline-4-carboxamide
PubChem CID166472459
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name6-(3-aminopropoxy)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinazoline-4-carboxamide
SMILESN#C[C@@H]1CCCN1C(=O)CNC(=O)c1ncnc2ccc(OCCCN)cc12
InChIInChI=1S/C19H22N6O3/c20-6-2-8-28-14-4-5-16-15(9-14)18(24-12-23-16)19(27)22-11-17(26)25-7-1-3-13(25)10-21/h4-5,9,12-13H,1-3,6-8,11,20H2,(H,22,27)/t13-/m0/s1
InChIKeyLJWVISTYZWTHGR-ZDUSSCGKSA-N
XLogP0.60
TPSA134.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-(3-aminopropoxy)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinazoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-[[(2R)-2-amino-3-[[4-[ditert-butyl(fluoro)silyl]benzoyl]amino]propanoyl]amino]propoxy]-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinazoline-4-carboxamide
CID 166472455
6-[3-[[2-amino-3-[[4-[ditert-butyl(fluoro)silyl]benzoyl]amino]propanoyl]amino]propoxy]-N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]quinazoline-4-carboxamide
CID 175582066
[1-[3-[4-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]carbamoyl]quinazolin-6-yl]oxypropylamino]-3-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]-1-oxopropan-2-yl]carbamic acid
CID 175582073
2-[4,7-bis(carboxymethyl)-10-[2-[4-[3-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 169450156
6-[4-(3-aminopropylcarbamoyl)triazol-1-yl]-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 166485817
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-6-morpholin-4-ylquinoline-4-carboxamide
CID 170151832
N-(2-aminoethyl)-N'-[2-[4-[[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]carbamoyl]quinolin-6-yl]oxyethyl]pentanediamide
CID 178032509
CID 166472461
CID 166472461
2-[2-[carboxymethyl-[[5-[3-[4-[3-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-6-yl]oxypropyl]piperazin-1-yl]-3-oxopropyl]-2-hydroxyphenyl]methyl]amino]ethyl-[[5-[3-[4-[3-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-6-yl]oxypropyl]piperazin-1-yl]-3-oxopropyl]-2-hydroxyphenyl]methyl]amino]acetic acid
CID 171454570
2-[4,7-bis(carboxymethyl)-10-ethyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]-6-[3-[(6-fluoro-3-pyridinyl)methyl-formylamino]propoxy]quinoline-4-carboxamide
CID 165399931
2-[4,7-bis(carboxymethyl)-10-[2-[[(2S)-1-[3-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-6-yl]oxypropylamino]-6-[(6-fluoropyridine-3-carbonyl)amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 172512870
N-methylmethanamine;(2S)-1-[2-(2-phenoxyethylamino)acetyl]pyrrolidine-2-carbonitrile
CID 66763203

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropoxy)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinazoline-4-carboxamide?
The IUPAC name of 6-(3-aminopropoxy)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinazoline-4-carboxamide (CID 166472459) is 6-(3-aminopropoxy)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinazoline-4-carboxamide.
What is the SMILES notation for 6-(3-aminopropoxy)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinazoline-4-carboxamide?
The canonical SMILES for 6-(3-aminopropoxy)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinazoline-4-carboxamide is N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ncnc2ccc(OCCCN)cc12.
What is the InChIKey of 6-(3-aminopropoxy)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinazoline-4-carboxamide?
The InChIKey is LJWVISTYZWTHGR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N6O3/c20-6-2-8-28-14-4-5-16-15(9-14)18(24-12-23-16)19(27)22-11-17(26)25-7-1-3-13(25)10-21/h4-5,9,12-13H,1-3,6-8,11,20H2,(H,22,27)/t13-/m0/s1.
What are the key properties of 6-(3-aminopropoxy)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinazoline-4-carboxamide?
6-(3-aminopropoxy)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinazoline-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropoxy)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinazoline-4-carboxamide is sourced from PubChem (CID 166472459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).