(2R)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylmorpholine-2-carboxamide

C18H24N4O5 — CID 137071630

IUPAC(2R)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylmorpholine-2-carboxamide
SMILESCCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)[C@H]1CNCCO1
InChIInChI=1S/C18H24N4O5/c1-4-22(18(24)15-9-19-5-6-27-15)10-16-20-12-8-14(26-3)13(25-2)7-11(12)17(23)21-16/h7-8,15,19H,4-6,9-10H2,1-3H3,(H,20,21,23)/t15-/m1/s1
InChIKeyZPAPSGBKEWDPHJ-OAHLLOKOSA-N
MW376.41 g/mol
LogP0.28
Rot. Bonds6

About (2R)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylmorpholine-2-carboxamide

(2R)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylmorpholine-2-carboxamide (PubChem CID 137071630) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is (2R)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylmorpholine-2-carboxamide
PubChem CID137071630
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name(2R)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylmorpholine-2-carboxamide
SMILESCCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)[C@H]1CNCCO1
InChIInChI=1S/C18H24N4O5/c1-4-22(18(24)15-9-19-5-6-27-15)10-16-20-12-8-14(26-3)13(25-2)7-11(12)17(23)21-16/h7-8,15,19H,4-6,9-10H2,1-3H3,(H,20,21,23)/t15-/m1/s1
InChIKeyZPAPSGBKEWDPHJ-OAHLLOKOSA-N
XLogP0.28
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 135702733
N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide
CID 137132800
N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 137132799
(2S)-2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-methylbutanamide
CID 137132828
N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-1-prop-2-enoylazetidine-3-carboxamide
CID 166420525
2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135519701
2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methylpentanamide;hydrochloride
CID 137132797
4-acetyl-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide
CID 135702726
(E)-3-(3,5-dichlorophenyl)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylprop-2-enamide
CID 135971136
2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-phenylacetamide
CID 137156480
2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 137154641
N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-(4-ethylphenyl)propanamide
CID 135820936

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylmorpholine-2-carboxamide (CID 137071630) is (2R)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylmorpholine-2-carboxamide is CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)[C@H]1CNCCO1.
What is the InChIKey of (2R)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylmorpholine-2-carboxamide?
The InChIKey is ZPAPSGBKEWDPHJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O5/c1-4-22(18(24)15-9-19-5-6-27-15)10-16-20-12-8-14(26-3)13(25-2)7-11(12)17(23)21-16/h7-8,15,19H,4-6,9-10H2,1-3H3,(H,20,21,23)/t15-/m1/s1.
What are the key properties of (2R)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylmorpholine-2-carboxamide?
(2R)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylmorpholine-2-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylmorpholine-2-carboxamide is sourced from PubChem (CID 137071630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).