9-chloro-7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one

C19H23ClN4O3 — CID 110214357

IUPAC9-chloro-7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one
SMILESCC1CN(C(=O)CN2C(=O)N3CCCN=C3c3ccc(Cl)cc32)CC(C)O1
InChIInChI=1S/C19H23ClN4O3/c1-12-9-22(10-13(2)27-12)17(25)11-24-16-8-14(20)4-5-15(16)18-21-6-3-7-23(18)19(24)26/h4-5,8,12-13H,3,6-7,9-11H2,1-2H3
InChIKeyVRZMGNGKXMVVHC-UHFFFAOYSA-N
MW390.87 g/mol
LogP2.37
Rot. Bonds2

About 9-chloro-7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one

9-chloro-7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one (PubChem CID 110214357) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 9-chloro-7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one.

Molecular Properties

Compound Name9-chloro-7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one
PubChem CID110214357
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name9-chloro-7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one
SMILESCC1CN(C(=O)CN2C(=O)N3CCCN=C3c3ccc(Cl)cc32)CC(C)O1
InChIInChI=1S/C19H23ClN4O3/c1-12-9-22(10-13(2)27-12)17(25)11-24-16-8-14(20)4-5-15(16)18-21-6-3-7-23(18)19(24)26/h4-5,8,12-13H,3,6-7,9-11H2,1-2H3
InChIKeyVRZMGNGKXMVVHC-UHFFFAOYSA-N
XLogP2.37
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one?
The IUPAC name of 9-chloro-7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one (CID 110214357) is 9-chloro-7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one.
What is the SMILES notation for 9-chloro-7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one?
The canonical SMILES for 9-chloro-7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one is CC1CN(C(=O)CN2C(=O)N3CCCN=C3c3ccc(Cl)cc32)CC(C)O1.
What is the InChIKey of 9-chloro-7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one?
The InChIKey is VRZMGNGKXMVVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-12-9-22(10-13(2)27-12)17(25)11-24-16-8-14(20)4-5-15(16)18-21-6-3-7-23(18)19(24)26/h4-5,8,12-13H,3,6-7,9-11H2,1-2H3.
What are the key properties of 9-chloro-7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one?
9-chloro-7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one has a molecular weight of 390.87 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one is sourced from PubChem (CID 110214357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).