2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine

C18H15ClN4 — CID 22692794

IUPAC2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine
SMILESClc1nc(NCCc2c[nH]c3ccccc23)c2ccccc2n1
InChIInChI=1S/C18H15ClN4/c19-18-22-16-8-4-2-6-14(16)17(23-18)20-10-9-12-11-21-15-7-3-1-5-13(12)15/h1-8,11,21H,9-10H2,(H,20,22,23)
InChIKeyKWXBYALTSIVETG-UHFFFAOYSA-N
MW322.80 g/mol
LogP4.42
Rot. Bonds4

About 2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine

2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine (PubChem CID 22692794) has the molecular formula C18H15ClN4 and a molecular weight of 322.80 g/mol. Its IUPAC name is 2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine
PubChem CID22692794
Molecular FormulaC18H15ClN4
Molecular Weight322.80 g/mol
Exact Mass322.10
IUPAC Name2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine
SMILESClc1nc(NCCc2c[nH]c3ccccc23)c2ccccc2n1
InChIInChI=1S/C18H15ClN4/c19-18-22-16-8-4-2-6-14(16)17(23-18)20-10-9-12-11-21-15-7-3-1-5-13(12)15/h1-8,11,21H,9-10H2,(H,20,22,23)
InChIKeyKWXBYALTSIVETG-UHFFFAOYSA-N
XLogP4.42
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine
CID 146598277
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine
CID 82460644
5-(2-aminoethoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 171572982
N-[2-(2-bromophenyl)ethyl]-2-chloroquinazolin-4-amine
CID 142747337
2-N-butan-2-yl-4-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine
CID 146598297
5-(2-aminopropoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 171572985
2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline
CID 171397349
N-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine
CID 30033461
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 146409420
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine
CID 164562122
1-[2-chloro-4-[2-(1H-indol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 146405528

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine (CID 22692794) is 2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine is Clc1nc(NCCc2c[nH]c3ccccc23)c2ccccc2n1.
What is the InChIKey of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine?
The InChIKey is KWXBYALTSIVETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4/c19-18-22-16-8-4-2-6-14(16)17(23-18)20-10-9-12-11-21-15-7-3-1-5-13(12)15/h1-8,11,21H,9-10H2,(H,20,22,23).
What are the key properties of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine?
2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine has a molecular weight of 322.80 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 22692794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).