N-(2-methyl-1H-inden-5-yl)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine

C28H23N3 — CID 157222458

IUPACN-(2-methyl-1H-inden-5-yl)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESCC1=Cc2cc(Nc3ncc4c(n3)-c3ccccc3C(c3ccccc3)C4)ccc2C1
InChIInChI=1S/C28H23N3/c1-18-13-20-11-12-23(15-21(20)14-18)30-28-29-17-22-16-26(19-7-3-2-4-8-19)24-9-5-6-10-25(24)27(22)31-28/h2-12,14-15,17,26H,13,16H2,1H3,(H,29,30,31)
InChIKeyBHOXLRUZUAYSKV-UHFFFAOYSA-N
MW401.51 g/mol
LogP6.53
Rot. Bonds3

About N-(2-methyl-1H-inden-5-yl)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine

N-(2-methyl-1H-inden-5-yl)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine (PubChem CID 157222458) has the molecular formula C28H23N3 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(2-methyl-1H-inden-5-yl)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine.

Molecular Properties

Compound NameN-(2-methyl-1H-inden-5-yl)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
PubChem CID157222458
Molecular FormulaC28H23N3
Molecular Weight401.51 g/mol
Exact Mass401.19
IUPAC NameN-(2-methyl-1H-inden-5-yl)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESCC1=Cc2cc(Nc3ncc4c(n3)-c3ccccc3C(c3ccccc3)C4)ccc2C1
InChIInChI=1S/C28H23N3/c1-18-13-20-11-12-23(15-21(20)14-18)30-28-29-17-22-16-26(19-7-3-2-4-8-19)24-9-5-6-10-25(24)27(22)31-28/h2-12,14-15,17,26H,13,16H2,1H3,(H,29,30,31)
InChIKeyBHOXLRUZUAYSKV-UHFFFAOYSA-N
XLogP6.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-N-(3-ethenyl-4-fluorophenyl)-6-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 90768522
2-[4-[[6-(3,4-dihydroxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]amino]phenyl]propane-2-sulfonic acid
CID 141272404
(6S)-6-(3-bromophenyl)-N-[4-(2-piperidin-1-ylethyl)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;hydrochloride
CID 67426790
6-(3,4-difluorophenyl)-N-[4-[2-[ethyl(methyl)amino]ethyl]phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 91478049
6-(4-fluorophenyl)-N-[4-(2-piperidin-1-ylethyl)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 59490136
6-(4-chlorophenyl)-N-(1H-inden-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[(2-methoxyphenyl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 159658601
6-(4-bromophenyl)-N-[4-[2-[dihydroxy(methyl)-λ4-sulfanyl]oxyethyl]phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 91068860
2-[4-[[6-(2,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]amino]phenyl]ethanol
CID 59490179
(6S)-N-[4-[2-[butyl(methyl)amino]ethyl]phenyl]-6-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;hydrochloride
CID 67427968
N-[(5-methoxy-1H-indol-2-yl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 59489633
N-[4-[2-[butyl(methyl)amino]ethyl]phenyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;hydrochloride
CID 67427727
N-[4-[2-(cyclohexylamino)ethyl]phenyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 118350173

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1H-inden-5-yl)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The IUPAC name of N-(2-methyl-1H-inden-5-yl)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine (CID 157222458) is N-(2-methyl-1H-inden-5-yl)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine.
What is the SMILES notation for N-(2-methyl-1H-inden-5-yl)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The canonical SMILES for N-(2-methyl-1H-inden-5-yl)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine is CC1=Cc2cc(Nc3ncc4c(n3)-c3ccccc3C(c3ccccc3)C4)ccc2C1.
What is the InChIKey of N-(2-methyl-1H-inden-5-yl)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The InChIKey is BHOXLRUZUAYSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3/c1-18-13-20-11-12-23(15-21(20)14-18)30-28-29-17-22-16-26(19-7-3-2-4-8-19)24-9-5-6-10-25(24)27(22)31-28/h2-12,14-15,17,26H,13,16H2,1H3,(H,29,30,31).
What are the key properties of N-(2-methyl-1H-inden-5-yl)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
N-(2-methyl-1H-inden-5-yl)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine has a molecular weight of 401.51 g/mol, XLogP of 6.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1H-inden-5-yl)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 157222458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).