9-chloro-6-(4-ethylphenyl)-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline

C19H20ClN3 — CID 6493353

IUPAC9-chloro-6-(4-ethylphenyl)-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline
SMILESCCc1ccc(C2Nc3cc(Cl)ccc3C3=NCCCN32)cc1
InChIInChI=1S/C19H20ClN3/c1-2-13-4-6-14(7-5-13)18-22-17-12-15(20)8-9-16(17)19-21-10-3-11-23(18)19/h4-9,12,18,22H,2-3,10-11H2,1H3
InChIKeyGCDJUTGELUPWRY-UHFFFAOYSA-N
MW325.84 g/mol
LogP4.48
Rot. Bonds2

About 9-chloro-6-(4-ethylphenyl)-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline

9-chloro-6-(4-ethylphenyl)-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline (PubChem CID 6493353) has the molecular formula C19H20ClN3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 9-chloro-6-(4-ethylphenyl)-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline.

Molecular Properties

Compound Name9-chloro-6-(4-ethylphenyl)-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline
PubChem CID6493353
Molecular FormulaC19H20ClN3
Molecular Weight325.84 g/mol
Exact Mass325.13
IUPAC Name9-chloro-6-(4-ethylphenyl)-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline
SMILESCCc1ccc(C2Nc3cc(Cl)ccc3C3=NCCCN32)cc1
InChIInChI=1S/C19H20ClN3/c1-2-13-4-6-14(7-5-13)18-22-17-12-15(20)8-9-16(17)19-21-10-3-11-23(18)19/h4-9,12,18,22H,2-3,10-11H2,1H3
InChIKeyGCDJUTGELUPWRY-UHFFFAOYSA-N
XLogP4.48
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-N,4-dimethyl-1,4-dihydroquinazolin-2-amine
CID 135458392
Imidazo(1,2-c)quinazoline, 5-(4-chlorophenyl)-2,3,5,6-tetrahydro-
CID 211824
7-Chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one
CID 166627659
7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one
CID 166629570
3-[(5-chloro-4,4-dimethyl-1,3-dihydroquinolin-2-ylidene)amino]-N,N-dimethylpropan-1-amine
CID 136244551
3-[(7-chloro-4,4-dimethyl-1,3-dihydroquinolin-2-ylidene)amino]-N,N-dimethylpropan-1-amine
CID 136244552
7-chloro-4((2,2-difluoroethyl)amino)-1-phenyl-quinazolin-2 (1H)-one
CID 151690232
4-(benzylamino)-7-chloro-1-phenyl-quinazolin-2(1H)-one
CID 147655114
7-chloro-1-phenyl-4-(piperidin-1-yl)-quinazolin-2(1H)-one
CID 150009980
7-Chloro-4-(methylamino)-1-phenylquinazolin-2-one
CID 150866826
US11845723, Example 574
CID 165380634
4-[benzyl(methyl)amino]-7-chloro-1H-quinazolin-2-one
CID 166628474

Frequently Asked Questions

What is the IUPAC name of 9-chloro-6-(4-ethylphenyl)-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline?
The IUPAC name of 9-chloro-6-(4-ethylphenyl)-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline (CID 6493353) is 9-chloro-6-(4-ethylphenyl)-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline.
What is the SMILES notation for 9-chloro-6-(4-ethylphenyl)-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline?
The canonical SMILES for 9-chloro-6-(4-ethylphenyl)-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline is CCc1ccc(C2Nc3cc(Cl)ccc3C3=NCCCN32)cc1.
What is the InChIKey of 9-chloro-6-(4-ethylphenyl)-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline?
The InChIKey is GCDJUTGELUPWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3/c1-2-13-4-6-14(7-5-13)18-22-17-12-15(20)8-9-16(17)19-21-10-3-11-23(18)19/h4-9,12,18,22H,2-3,10-11H2,1H3.
What are the key properties of 9-chloro-6-(4-ethylphenyl)-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline?
9-chloro-6-(4-ethylphenyl)-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline has a molecular weight of 325.84 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-6-(4-ethylphenyl)-3,4,6,7-tetrahydro-2H-pyrimido[1,2-c]quinazoline is sourced from PubChem (CID 6493353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).