1,3-dichloro-11,11-dimethyl-1,2-dihydropyrido[2,1-b]quinazoline

C14H14Cl2N2 — CID 151472287

IUPAC1,3-dichloro-11,11-dimethyl-1,2-dihydropyrido[2,1-b]quinazoline
SMILESCC1(C)C2=C(C=C(Cl)CC2Cl)N=C2C=CC=CN21
InChIInChI=1S/C14H14Cl2N2/c1-14(2)13-10(16)7-9(15)8-11(13)17-12-5-3-4-6-18(12)14/h3-6,8,10H,7H2,1-2H3
InChIKeyPKSNAHAWSUDRPI-UHFFFAOYSA-N
MW281.19 g/mol
LogP3.95
Rot. Bonds

About 1,3-dichloro-11,11-dimethyl-1,2-dihydropyrido[2,1-b]quinazoline

1,3-dichloro-11,11-dimethyl-1,2-dihydropyrido[2,1-b]quinazoline (PubChem CID 151472287) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 1,3-dichloro-11,11-dimethyl-1,2-dihydropyrido[2,1-b]quinazoline.

Molecular Properties

Compound Name1,3-dichloro-11,11-dimethyl-1,2-dihydropyrido[2,1-b]quinazoline
PubChem CID151472287
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name1,3-dichloro-11,11-dimethyl-1,2-dihydropyrido[2,1-b]quinazoline
SMILESCC1(C)C2=C(C=C(Cl)CC2Cl)N=C2C=CC=CN21
InChIInChI=1S/C14H14Cl2N2/c1-14(2)13-10(16)7-9(15)8-11(13)17-12-5-3-4-6-18(12)14/h3-6,8,10H,7H2,1-2H3
InChIKeyPKSNAHAWSUDRPI-UHFFFAOYSA-N
XLogP3.95
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-11,11-dimethyl-1,2-dihydropyrido[2,1-b]quinazoline?
The IUPAC name of 1,3-dichloro-11,11-dimethyl-1,2-dihydropyrido[2,1-b]quinazoline (CID 151472287) is 1,3-dichloro-11,11-dimethyl-1,2-dihydropyrido[2,1-b]quinazoline.
What is the SMILES notation for 1,3-dichloro-11,11-dimethyl-1,2-dihydropyrido[2,1-b]quinazoline?
The canonical SMILES for 1,3-dichloro-11,11-dimethyl-1,2-dihydropyrido[2,1-b]quinazoline is CC1(C)C2=C(C=C(Cl)CC2Cl)N=C2C=CC=CN21.
What is the InChIKey of 1,3-dichloro-11,11-dimethyl-1,2-dihydropyrido[2,1-b]quinazoline?
The InChIKey is PKSNAHAWSUDRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-14(2)13-10(16)7-9(15)8-11(13)17-12-5-3-4-6-18(12)14/h3-6,8,10H,7H2,1-2H3.
What are the key properties of 1,3-dichloro-11,11-dimethyl-1,2-dihydropyrido[2,1-b]quinazoline?
1,3-dichloro-11,11-dimethyl-1,2-dihydropyrido[2,1-b]quinazoline has a molecular weight of 281.19 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-11,11-dimethyl-1,2-dihydropyrido[2,1-b]quinazoline is sourced from PubChem (CID 151472287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).