N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1H-quinazolin-7-amine

C19H19ClN4 — CID 71450250

IUPACN-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1H-quinazolin-7-amine
SMILESCCN1CNc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2C1
InChIInChI=1S/C19H19ClN4/c1-2-24-11-13-3-5-15(10-18(13)22-12-24)23-17-7-8-21-19-9-14(20)4-6-16(17)19/h3-10,22H,2,11-12H2,1H3,(H,21,23)
InChIKeyFFVOGDUJINOALX-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.84
Rot. Bonds3

About N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1H-quinazolin-7-amine

N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1H-quinazolin-7-amine (PubChem CID 71450250) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1H-quinazolin-7-amine.

Molecular Properties

Compound NameN-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1H-quinazolin-7-amine
PubChem CID71450250
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC NameN-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1H-quinazolin-7-amine
SMILESCCN1CNc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2C1
InChIInChI=1S/C19H19ClN4/c1-2-24-11-13-3-5-15(10-18(13)22-12-24)23-17-7-8-21-19-9-14(20)4-6-16(17)19/h3-10,22H,2,11-12H2,1H3,(H,21,23)
InChIKeyFFVOGDUJINOALX-UHFFFAOYSA-N
XLogP4.84
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1H-quinazolin-7-amine?
The IUPAC name of N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1H-quinazolin-7-amine (CID 71450250) is N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1H-quinazolin-7-amine.
What is the SMILES notation for N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1H-quinazolin-7-amine?
The canonical SMILES for N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1H-quinazolin-7-amine is CCN1CNc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2C1.
What is the InChIKey of N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1H-quinazolin-7-amine?
The InChIKey is FFVOGDUJINOALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-2-24-11-13-3-5-15(10-18(13)22-12-24)23-17-7-8-21-19-9-14(20)4-6-16(17)19/h3-10,22H,2,11-12H2,1H3,(H,21,23).
What are the key properties of N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1H-quinazolin-7-amine?
N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1H-quinazolin-7-amine has a molecular weight of 338.84 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1H-quinazolin-7-amine is sourced from PubChem (CID 71450250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).