7-chloro-3-(4-methoxy-2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-2-amine

C18H18ClN3O — CID 86297642

IUPAC7-chloro-3-(4-methoxy-2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-2-amine
SMILESCOc1cccc2c1CC(N1Cc3ccc(Cl)cc3N=C1N)C2
InChIInChI=1S/C18H18ClN3O/c1-23-17-4-2-3-11-7-14(9-15(11)17)22-10-12-5-6-13(19)8-16(12)21-18(22)20/h2-6,8,14H,7,9-10H2,1H3,(H2,20,21)
InChIKeySLAOZQORDVKSLS-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.28
Rot. Bonds2

About 7-chloro-3-(4-methoxy-2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-2-amine

7-chloro-3-(4-methoxy-2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-2-amine (PubChem CID 86297642) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 7-chloro-3-(4-methoxy-2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-2-amine.

Molecular Properties

Compound Name7-chloro-3-(4-methoxy-2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-2-amine
PubChem CID86297642
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name7-chloro-3-(4-methoxy-2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-2-amine
SMILESCOc1cccc2c1CC(N1Cc3ccc(Cl)cc3N=C1N)C2
InChIInChI=1S/C18H18ClN3O/c1-23-17-4-2-3-11-7-14(9-15(11)17)22-10-12-5-6-13(19)8-16(12)21-18(22)20/h2-6,8,14H,7,9-10H2,1H3,(H2,20,21)
InChIKeySLAOZQORDVKSLS-UHFFFAOYSA-N
XLogP3.28
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-3-[(2,6-dimethoxyphenyl)methyl]-4H-quinazolin-2-amine
CID 68546471
5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol
CID 123352888
(2R,3S)-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130898771
(2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 67639312
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine
CID 14181059
3-chloro-5-methoxy-9H-thioxanthene
CID 21487801
4-methoxy-1,3-dihydroisoindol-2-amine
CID 125426011
(3aR,9aR)-5-methoxy-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]isoindole
CID 11030912
3-[(2,6-dimethoxyphenyl)methyl]-7-[4-(trifluoromethoxy)phenyl]-4H-quinazolin-2-amine
CID 69158443
2-(2-chlorophenyl)-5-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine
CID 169007860
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine;dihydrochloride
CID 67828788
(5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol
CID 15933736

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(4-methoxy-2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-2-amine?
The IUPAC name of 7-chloro-3-(4-methoxy-2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-2-amine (CID 86297642) is 7-chloro-3-(4-methoxy-2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-2-amine.
What is the SMILES notation for 7-chloro-3-(4-methoxy-2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-2-amine?
The canonical SMILES for 7-chloro-3-(4-methoxy-2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-2-amine is COc1cccc2c1CC(N1Cc3ccc(Cl)cc3N=C1N)C2.
What is the InChIKey of 7-chloro-3-(4-methoxy-2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-2-amine?
The InChIKey is SLAOZQORDVKSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-23-17-4-2-3-11-7-14(9-15(11)17)22-10-12-5-6-13(19)8-16(12)21-18(22)20/h2-6,8,14H,7,9-10H2,1H3,(H2,20,21).
What are the key properties of 7-chloro-3-(4-methoxy-2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-2-amine?
7-chloro-3-(4-methoxy-2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-2-amine has a molecular weight of 327.82 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(4-methoxy-2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-2-amine is sourced from PubChem (CID 86297642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).