6-chloro-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-1,8-naphthyridin-2-amine

C17H16ClN5 — CID 167932023

IUPAC6-chloro-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-1,8-naphthyridin-2-amine
SMILESCc1ncc2c(n1)CCC(Nc1ccc3cc(Cl)cnc3n1)C2
InChIInChI=1S/C17H16ClN5/c1-10-19-8-12-7-14(3-4-15(12)21-10)22-16-5-2-11-6-13(18)9-20-17(11)23-16/h2,5-6,8-9,14H,3-4,7H2,1H3,(H,20,22,23)
InChIKeyZGGOAONBFZOFCK-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.35
Rot. Bonds2

About 6-chloro-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-1,8-naphthyridin-2-amine

6-chloro-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-1,8-naphthyridin-2-amine (PubChem CID 167932023) has the molecular formula C17H16ClN5 and a molecular weight of 325.80 g/mol. Its IUPAC name is 6-chloro-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-1,8-naphthyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-1,8-naphthyridin-2-amine
PubChem CID167932023
Molecular FormulaC17H16ClN5
Molecular Weight325.80 g/mol
Exact Mass325.11
IUPAC Name6-chloro-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-1,8-naphthyridin-2-amine
SMILESCc1ncc2c(n1)CCC(Nc1ccc3cc(Cl)cnc3n1)C2
InChIInChI=1S/C17H16ClN5/c1-10-19-8-12-7-14(3-4-15(12)21-10)22-16-5-2-11-6-13(18)9-20-17(11)23-16/h2,5-6,8-9,14H,3-4,7H2,1H3,(H,20,22,23)
InChIKeyZGGOAONBFZOFCK-UHFFFAOYSA-N
XLogP3.35
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-1,8-naphthyridin-2-amine?
The IUPAC name of 6-chloro-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-1,8-naphthyridin-2-amine (CID 167932023) is 6-chloro-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-1,8-naphthyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-1,8-naphthyridin-2-amine?
The canonical SMILES for 6-chloro-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-1,8-naphthyridin-2-amine is Cc1ncc2c(n1)CCC(Nc1ccc3cc(Cl)cnc3n1)C2.
What is the InChIKey of 6-chloro-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-1,8-naphthyridin-2-amine?
The InChIKey is ZGGOAONBFZOFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5/c1-10-19-8-12-7-14(3-4-15(12)21-10)22-16-5-2-11-6-13(18)9-20-17(11)23-16/h2,5-6,8-9,14H,3-4,7H2,1H3,(H,20,22,23).
What are the key properties of 6-chloro-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-1,8-naphthyridin-2-amine?
6-chloro-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-1,8-naphthyridin-2-amine has a molecular weight of 325.80 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-1,8-naphthyridin-2-amine is sourced from PubChem (CID 167932023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).