(6S)-2-morpholin-4-yl-N-[(4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide

C23H30N4O3 — CID 95112147

IUPAC(6S)-2-morpholin-4-yl-N-[(4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCCOc1ccc(CNC(=O)[C@H]2CCc3nc(N4CCOCC4)ncc3C2)cc1
InChIInChI=1S/C23H30N4O3/c1-2-11-30-20-6-3-17(4-7-20)15-24-22(28)18-5-8-21-19(14-18)16-25-23(26-21)27-9-12-29-13-10-27/h3-4,6-7,16,18H,2,5,8-15H2,1H3,(H,24,28)/t18-/m0/s1
InChIKeyJJKYBNQCLRYNPT-SFHVURJKSA-N
MW410.52 g/mol
LogP2.52
Rot. Bonds7

About (6S)-2-morpholin-4-yl-N-[(4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide

(6S)-2-morpholin-4-yl-N-[(4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 95112147) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is (6S)-2-morpholin-4-yl-N-[(4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound Name(6S)-2-morpholin-4-yl-N-[(4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID95112147
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name(6S)-2-morpholin-4-yl-N-[(4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCCOc1ccc(CNC(=O)[C@H]2CCc3nc(N4CCOCC4)ncc3C2)cc1
InChIInChI=1S/C23H30N4O3/c1-2-11-30-20-6-3-17(4-7-20)15-24-22(28)18-5-8-21-19(14-18)16-25-23(26-21)27-9-12-29-13-10-27/h3-4,6-7,16,18H,2,5,8-15H2,1H3,(H,24,28)/t18-/m0/s1
InChIKeyJJKYBNQCLRYNPT-SFHVURJKSA-N
XLogP2.52
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6S)-2-morpholin-4-yl-N-[(4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide with MolForge

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836063
N-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193997
(6R)-N-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112148
(6S)-N-[[4-(diethylamino)phenyl]methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112007
N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836090
N-(3-ethylphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836077
2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836110
ethyl 4-[(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]benzoate
CID 53193985
(6R)-N-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112093
(6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 129369349
(6S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 129423087
1-(5-phenylpyrimidin-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
CID 53107338

Frequently Asked Questions

What is the IUPAC name of (6S)-2-morpholin-4-yl-N-[(4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of (6S)-2-morpholin-4-yl-N-[(4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 95112147) is (6S)-2-morpholin-4-yl-N-[(4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for (6S)-2-morpholin-4-yl-N-[(4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for (6S)-2-morpholin-4-yl-N-[(4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide is CCCOc1ccc(CNC(=O)[C@H]2CCc3nc(N4CCOCC4)ncc3C2)cc1.
What is the InChIKey of (6S)-2-morpholin-4-yl-N-[(4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is JJKYBNQCLRYNPT-SFHVURJKSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-2-11-30-20-6-3-17(4-7-20)15-24-22(28)18-5-8-21-19(14-18)16-25-23(26-21)27-9-12-29-13-10-27/h3-4,6-7,16,18H,2,5,8-15H2,1H3,(H,24,28)/t18-/m0/s1.
What are the key properties of (6S)-2-morpholin-4-yl-N-[(4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
(6S)-2-morpholin-4-yl-N-[(4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-morpholin-4-yl-N-[(4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 95112147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).