(6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine

C18H13Cl2N3 — CID 1474536

IUPAC(6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESNc1ncc2c(n1)-c1ccccc1[C@H](c1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C18H13Cl2N3/c19-15-6-5-10(8-16(15)20)14-7-11-9-22-18(21)23-17(11)13-4-2-1-3-12(13)14/h1-6,8-9,14H,7H2,(H2,21,22,23)/t14-/m0/s1
InChIKeySQMXGNUOHXNMKE-AWEZNQCLSA-N
MW342.23 g/mol
LogP4.72
Rot. Bonds1

About (6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine

(6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine (PubChem CID 1474536) has the molecular formula C18H13Cl2N3 and a molecular weight of 342.23 g/mol. Its IUPAC name is (6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine.

Molecular Properties

Compound Name(6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
PubChem CID1474536
Molecular FormulaC18H13Cl2N3
Molecular Weight342.23 g/mol
Exact Mass341.05
IUPAC Name(6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESNc1ncc2c(n1)-c1ccccc1[C@H](c1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C18H13Cl2N3/c19-15-6-5-10(8-16(15)20)14-7-11-9-22-18(21)23-17(11)13-4-2-1-3-12(13)14/h1-6,8-9,14H,7H2,(H2,21,22,23)/t14-/m0/s1
InChIKeySQMXGNUOHXNMKE-AWEZNQCLSA-N
XLogP4.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The IUPAC name of (6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine (CID 1474536) is (6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine.
What is the SMILES notation for (6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The canonical SMILES for (6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine is Nc1ncc2c(n1)-c1ccccc1[C@H](c1ccc(Cl)c(Cl)c1)C2.
What is the InChIKey of (6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The InChIKey is SQMXGNUOHXNMKE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H13Cl2N3/c19-15-6-5-10(8-16(15)20)14-7-11-9-22-18(21)23-17(11)13-4-2-1-3-12(13)14/h1-6,8-9,14H,7H2,(H2,21,22,23)/t14-/m0/s1.
What are the key properties of (6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
(6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine has a molecular weight of 342.23 g/mol, XLogP of 4.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 1474536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).