3-chloro-2,4-dimethyl-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline

C14H17ClN2 — CID 18992542

IUPAC3-chloro-2,4-dimethyl-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
SMILESCc1cc2c(c(C)c1Cl)N=C1CCCCN1C2
InChIInChI=1S/C14H17ClN2/c1-9-7-11-8-17-6-4-3-5-12(17)16-14(11)10(2)13(9)15/h7H,3-6,8H2,1-2H3
InChIKeyDONAWWMEQPEXMQ-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.99
Rot. Bonds

About 3-chloro-2,4-dimethyl-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline

3-chloro-2,4-dimethyl-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline (PubChem CID 18992542) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 3-chloro-2,4-dimethyl-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline.

Molecular Properties

Compound Name3-chloro-2,4-dimethyl-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
PubChem CID18992542
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name3-chloro-2,4-dimethyl-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
SMILESCc1cc2c(c(C)c1Cl)N=C1CCCCN1C2
InChIInChI=1S/C14H17ClN2/c1-9-7-11-8-17-6-4-3-5-12(17)16-14(11)10(2)13(9)15/h7H,3-6,8H2,1-2H3
InChIKeyDONAWWMEQPEXMQ-UHFFFAOYSA-N
XLogP3.99
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 18992973
1-chloro-2,3-dimethoxy-4-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 18992574
2-chloro-4-(trifluoromethoxy)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 18992668
3,4-dibromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
CID 54322248
6-chloro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
CID 18992286
6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 10241903
1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-ol
CID 130034310
1-chloro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
CID 18992823
3,5,6,7,8,9,10,11-octahydroimidazo[1,2-a]azonin-2-one
CID 90226489
5,8-dibromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
CID 18992242
2-(3,4-dichlorophenyl)-5,6-dimethyl-1,3-dihydroisoindole
CID 954435
6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbohydrazide
CID 140735901

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,4-dimethyl-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
The IUPAC name of 3-chloro-2,4-dimethyl-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline (CID 18992542) is 3-chloro-2,4-dimethyl-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline.
What is the SMILES notation for 3-chloro-2,4-dimethyl-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
The canonical SMILES for 3-chloro-2,4-dimethyl-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline is Cc1cc2c(c(C)c1Cl)N=C1CCCCN1C2.
What is the InChIKey of 3-chloro-2,4-dimethyl-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
The InChIKey is DONAWWMEQPEXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-9-7-11-8-17-6-4-3-5-12(17)16-14(11)10(2)13(9)15/h7H,3-6,8H2,1-2H3.
What are the key properties of 3-chloro-2,4-dimethyl-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline?
3-chloro-2,4-dimethyl-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline has a molecular weight of 248.76 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,4-dimethyl-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline is sourced from PubChem (CID 18992542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).