4-(2,5-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydroquinazolin-2-amine

C23H19Cl2N3 — CID 58727604

IUPAC4-(2,5-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydroquinazolin-2-amine
SMILESClc1ccc(Cl)c(C2N=C(N[C@@H]3CCc4ccccc43)Nc3ccccc32)c1
InChIInChI=1S/C23H19Cl2N3/c24-15-10-11-19(25)18(13-15)22-17-7-3-4-8-20(17)26-23(28-22)27-21-12-9-14-5-1-2-6-16(14)21/h1-8,10-11,13,21-22H,9,12H2,(H2,26,27,28)/t21-,22?/m1/s1
InChIKeyDSUPGQOQUFSFFH-ZMFCMNQTSA-N
MW408.33 g/mol
LogP6.14
Rot. Bonds2

About 4-(2,5-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydroquinazolin-2-amine

4-(2,5-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydroquinazolin-2-amine (PubChem CID 58727604) has the molecular formula C23H19Cl2N3 and a molecular weight of 408.33 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydroquinazolin-2-amine.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydroquinazolin-2-amine
PubChem CID58727604
Molecular FormulaC23H19Cl2N3
Molecular Weight408.33 g/mol
Exact Mass407.10
IUPAC Name4-(2,5-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydroquinazolin-2-amine
SMILESClc1ccc(Cl)c(C2N=C(N[C@@H]3CCc4ccccc43)Nc3ccccc32)c1
InChIInChI=1S/C23H19Cl2N3/c24-15-10-11-19(25)18(13-15)22-17-7-3-4-8-20(17)26-23(28-22)27-21-12-9-14-5-1-2-6-16(14)21/h1-8,10-11,13,21-22H,9,12H2,(H2,26,27,28)/t21-,22?/m1/s1
InChIKeyDSUPGQOQUFSFFH-ZMFCMNQTSA-N
XLogP6.14
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.33
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2,5-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydroquinazolin-2-amine with MolForge

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Related Compounds

N-(2,6-dichloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83077299
N-(2-bromo-4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 81263302
N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-1,4-dihydroquinazolin-2-amine
CID 11988634
5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
CID 169260324
4-chloro-3-(2,3-dihydro-1H-inden-1-ylamino)benzenesulfonamide
CID 43745883
N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 82863704
N-(5-chloro-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43438379
2-chloro-5-(2,3-dihydro-1H-inden-1-ylamino)benzamide
CID 43713661
5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83081805
N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43119146
2-(2,5-dichlorophenoxy)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 25493489
6-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-methylpyridin-3-amine
CID 114049295

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydroquinazolin-2-amine?
The IUPAC name of 4-(2,5-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydroquinazolin-2-amine (CID 58727604) is 4-(2,5-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydroquinazolin-2-amine.
What is the SMILES notation for 4-(2,5-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydroquinazolin-2-amine?
The canonical SMILES for 4-(2,5-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydroquinazolin-2-amine is Clc1ccc(Cl)c(C2N=C(N[C@@H]3CCc4ccccc43)Nc3ccccc32)c1.
What is the InChIKey of 4-(2,5-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydroquinazolin-2-amine?
The InChIKey is DSUPGQOQUFSFFH-ZMFCMNQTSA-N. The full InChI is InChI=1S/C23H19Cl2N3/c24-15-10-11-19(25)18(13-15)22-17-7-3-4-8-20(17)26-23(28-22)27-21-12-9-14-5-1-2-6-16(14)21/h1-8,10-11,13,21-22H,9,12H2,(H2,26,27,28)/t21-,22?/m1/s1.
What are the key properties of 4-(2,5-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydroquinazolin-2-amine?
4-(2,5-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydroquinazolin-2-amine has a molecular weight of 408.33 g/mol, XLogP of 6.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydroquinazolin-2-amine is sourced from PubChem (CID 58727604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).