2-(diethylamino)-N-(1-thiophen-2-ylethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide

C19H26N4OS — CID 71835979

IUPAC2-(diethylamino)-N-(1-thiophen-2-ylethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCN(CC)c1ncc2c(n1)CCC(C(=O)NC(C)c1cccs1)C2
InChIInChI=1S/C19H26N4OS/c1-4-23(5-2)19-20-12-15-11-14(8-9-16(15)22-19)18(24)21-13(3)17-7-6-10-25-17/h6-7,10,12-14H,4-5,8-9,11H2,1-3H3,(H,21,24)
InChIKeySFCZXRFIUSYKDQ-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.37
Rot. Bonds6

About 2-(diethylamino)-N-(1-thiophen-2-ylethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide

2-(diethylamino)-N-(1-thiophen-2-ylethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 71835979) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-(diethylamino)-N-(1-thiophen-2-ylethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(1-thiophen-2-ylethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID71835979
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name2-(diethylamino)-N-(1-thiophen-2-ylethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCN(CC)c1ncc2c(n1)CCC(C(=O)NC(C)c1cccs1)C2
InChIInChI=1S/C19H26N4OS/c1-4-23(5-2)19-20-12-15-11-14(8-9-16(15)22-19)18(24)21-13(3)17-7-6-10-25-17/h6-7,10,12-14H,4-5,8-9,11H2,1-3H3,(H,21,24)
InChIKeySFCZXRFIUSYKDQ-UHFFFAOYSA-N
XLogP3.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(diethylamino)-N-(1-thiophen-2-ylethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide with MolForge

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Related Compounds

2-(diethylamino)-N-[1-(furan-2-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71835973
[2-(diethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-(4-phenylpiperazin-1-yl)methanone
CID 71835992
(3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 94154276
cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091689
N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide
CID 30971824
4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 81408620
N-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxamide
CID 81407911
N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901236
N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 63006092
(2R)-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37006047
4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 115583183
N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43534409

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(1-thiophen-2-ylethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of 2-(diethylamino)-N-(1-thiophen-2-ylethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 71835979) is 2-(diethylamino)-N-(1-thiophen-2-ylethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N-(1-thiophen-2-ylethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for 2-(diethylamino)-N-(1-thiophen-2-ylethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide is CCN(CC)c1ncc2c(n1)CCC(C(=O)NC(C)c1cccs1)C2.
What is the InChIKey of 2-(diethylamino)-N-(1-thiophen-2-ylethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is SFCZXRFIUSYKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-4-23(5-2)19-20-12-15-11-14(8-9-16(15)22-19)18(24)21-13(3)17-7-6-10-25-17/h6-7,10,12-14H,4-5,8-9,11H2,1-3H3,(H,21,24).
What are the key properties of 2-(diethylamino)-N-(1-thiophen-2-ylethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
2-(diethylamino)-N-(1-thiophen-2-ylethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(1-thiophen-2-ylethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 71835979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).