11-butyl-9-chloro-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline

C21H24ClN3 — CID 23336432

IUPAC11-butyl-9-chloro-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline
SMILESCCCCN1C2=NCCCN2C(c2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C21H24ClN3/c1-2-3-13-24-19-15-17(22)10-11-18(19)20(16-8-5-4-6-9-16)25-14-7-12-23-21(24)25/h4-6,8-11,15,20H,2-3,7,12-14H2,1H3
InChIKeyGDLYESXFQZPGKM-UHFFFAOYSA-N
MW353.90 g/mol
LogP5.11
Rot. Bonds4

About 11-butyl-9-chloro-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline

11-butyl-9-chloro-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline (PubChem CID 23336432) has the molecular formula C21H24ClN3 and a molecular weight of 353.90 g/mol. Its IUPAC name is 11-butyl-9-chloro-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline.

Molecular Properties

Compound Name11-butyl-9-chloro-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline
PubChem CID23336432
Molecular FormulaC21H24ClN3
Molecular Weight353.90 g/mol
Exact Mass353.17
IUPAC Name11-butyl-9-chloro-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline
SMILESCCCCN1C2=NCCCN2C(c2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C21H24ClN3/c1-2-3-13-24-19-15-17(22)10-11-18(19)20(16-8-5-4-6-9-16)25-14-7-12-23-21(24)25/h4-6,8-11,15,20H,2-3,7,12-14H2,1H3
InChIKeyGDLYESXFQZPGKM-UHFFFAOYSA-N
XLogP5.11
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.90
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-10-pentyl-5-phenyl-3,5-dihydro-2H-imidazo[2,1-b]quinazoline
CID 23336409
9-chloro-11-(cyclopropylmethyl)-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline
CID 23336391
10-butyl-8-chloro-7-methyl-5-phenyl-3,5-dihydro-2H-imidazo[2,1-b]quinazoline
CID 23336443
10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 2852818
1-butyl-7-chloro-5-phenyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 21484739
N-benzyl-N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-2,4-dichloroaniline
CID 57061916
1-butyl-4-phenylpiperidine-2,6-dione
CID 58822038
(2'R,3'R)-1-butyl-6-chloro-3'-(3-chlorophenyl)-N,N-dimethyl-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide
CID 91498428
5-chloro-2-(4,5-dihydro-1,3-thiazol-2-ylmethylidene)-3-octyl-1,3-benzothiazole
CID 71017195
2-(2,4-dichlorophenyl)-1,3-diphenyl-1,3-diazinane
CID 3089207
(2S,3S)-1-butyl-2,3-diphenylaziridine
CID 102330733
7-chloro-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
CID 54307557

Frequently Asked Questions

What is the IUPAC name of 11-butyl-9-chloro-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline?
The IUPAC name of 11-butyl-9-chloro-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline (CID 23336432) is 11-butyl-9-chloro-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline.
What is the SMILES notation for 11-butyl-9-chloro-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline?
The canonical SMILES for 11-butyl-9-chloro-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline is CCCCN1C2=NCCCN2C(c2ccccc2)c2ccc(Cl)cc21.
What is the InChIKey of 11-butyl-9-chloro-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline?
The InChIKey is GDLYESXFQZPGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3/c1-2-3-13-24-19-15-17(22)10-11-18(19)20(16-8-5-4-6-9-16)25-14-7-12-23-21(24)25/h4-6,8-11,15,20H,2-3,7,12-14H2,1H3.
What are the key properties of 11-butyl-9-chloro-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline?
11-butyl-9-chloro-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline has a molecular weight of 353.90 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-butyl-9-chloro-6-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline is sourced from PubChem (CID 23336432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).