2-amino-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxamide

C20H26N6O2 — CID 131922960

IUPAC2-amino-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxamide
SMILESNc1nc2c(c(C(=O)NCC(c3cccnc3)N3CCOCC3)n1)CCCC2
InChIInChI=1S/C20H26N6O2/c21-20-24-16-6-2-1-5-15(16)18(25-20)19(27)23-13-17(14-4-3-7-22-12-14)26-8-10-28-11-9-26/h3-4,7,12,17H,1-2,5-6,8-11,13H2,(H,23,27)(H2,21,24,25)
InChIKeyONCLZKNQAFXYDO-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.14
Rot. Bonds5

About 2-amino-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxamide

2-amino-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxamide (PubChem CID 131922960) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-amino-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxamide
PubChem CID131922960
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name2-amino-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxamide
SMILESNc1nc2c(c(C(=O)NCC(c3cccnc3)N3CCOCC3)n1)CCCC2
InChIInChI=1S/C20H26N6O2/c21-20-24-16-6-2-1-5-15(16)18(25-20)19(27)23-13-17(14-4-3-7-22-12-14)26-8-10-28-11-9-26/h3-4,7,12,17H,1-2,5-6,8-11,13H2,(H,23,27)(H2,21,24,25)
InChIKeyONCLZKNQAFXYDO-UHFFFAOYSA-N
XLogP1.14
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxamide with MolForge

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Related Compounds

4-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 72929752
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 112506372
N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-piperidin-1-ylbenzamide
CID 92626765
methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)furan-2-carboxamide
CID 3241753
N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 8010898
N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-indazole-3-carboxamide
CID 99970306
4-chloro-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrrole-2-carboxamide
CID 126445573
ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate
CID 45497405
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 131925719
N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
CID 22517260

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxamide (CID 131922960) is 2-amino-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxamide is Nc1nc2c(c(C(=O)NCC(c3cccnc3)N3CCOCC3)n1)CCCC2.
What is the InChIKey of 2-amino-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The InChIKey is ONCLZKNQAFXYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c21-20-24-16-6-2-1-5-15(16)18(25-20)19(27)23-13-17(14-4-3-7-22-12-14)26-8-10-28-11-9-26/h3-4,7,12,17H,1-2,5-6,8-11,13H2,(H,23,27)(H2,21,24,25).
What are the key properties of 2-amino-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
2-amino-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxamide is sourced from PubChem (CID 131922960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).