2-(diethylamino)-N-[(2,5-dimethylphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide

C22H30N4O — CID 71835977

IUPAC2-(diethylamino)-N-[(2,5-dimethylphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCN(CC)c1ncc2c(n1)CCC(C(=O)NCc1cc(C)ccc1C)C2
InChIInChI=1S/C22H30N4O/c1-5-26(6-2)22-24-14-19-12-17(9-10-20(19)25-22)21(27)23-13-18-11-15(3)7-8-16(18)4/h7-8,11,14,17H,5-6,9-10,12-13H2,1-4H3,(H,23,27)
InChIKeyHSSVRJZXPRXGMW-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.36
Rot. Bonds6

About 2-(diethylamino)-N-[(2,5-dimethylphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide

2-(diethylamino)-N-[(2,5-dimethylphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 71835977) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(diethylamino)-N-[(2,5-dimethylphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[(2,5-dimethylphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID71835977
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name2-(diethylamino)-N-[(2,5-dimethylphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCN(CC)c1ncc2c(n1)CCC(C(=O)NCc1cc(C)ccc1C)C2
InChIInChI=1S/C22H30N4O/c1-5-26(6-2)22-24-14-19-12-17(9-10-20(19)25-22)21(27)23-13-18-11-15(3)7-8-16(18)4/h7-8,11,14,17H,5-6,9-10,12-13H2,1-4H3,(H,23,27)
InChIKeyHSSVRJZXPRXGMW-UHFFFAOYSA-N
XLogP3.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[(2,5-dimethylphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of 2-(diethylamino)-N-[(2,5-dimethylphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 71835977) is 2-(diethylamino)-N-[(2,5-dimethylphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N-[(2,5-dimethylphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for 2-(diethylamino)-N-[(2,5-dimethylphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide is CCN(CC)c1ncc2c(n1)CCC(C(=O)NCc1cc(C)ccc1C)C2.
What is the InChIKey of 2-(diethylamino)-N-[(2,5-dimethylphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is HSSVRJZXPRXGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-5-26(6-2)22-24-14-19-12-17(9-10-20(19)25-22)21(27)23-13-18-11-15(3)7-8-16(18)4/h7-8,11,14,17H,5-6,9-10,12-13H2,1-4H3,(H,23,27).
What are the key properties of 2-(diethylamino)-N-[(2,5-dimethylphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
2-(diethylamino)-N-[(2,5-dimethylphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[(2,5-dimethylphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 71835977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).