(1S,2R)-1-[(5-methoxyquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol

C18H17N3O2 — CID 167801808

IUPAC(1S,2R)-1-[(5-methoxyquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
SMILESCOc1cccc2ncnc(N[C@H]3c4ccccc4C[C@H]3O)c12
InChIInChI=1S/C18H17N3O2/c1-23-15-8-4-7-13-16(15)18(20-10-19-13)21-17-12-6-3-2-5-11(12)9-14(17)22/h2-8,10,14,17,22H,9H2,1H3,(H,19,20,21)/t14-,17+/m1/s1
InChIKeyZEQFWKJZSLDFLS-PBHICJAKSA-N
MW307.35 g/mol
LogP2.71
Rot. Bonds3

About (1S,2R)-1-[(5-methoxyquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol

(1S,2R)-1-[(5-methoxyquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 167801808) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (1S,2R)-1-[(5-methoxyquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-[(5-methoxyquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
PubChem CID167801808
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(1S,2R)-1-[(5-methoxyquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
SMILESCOc1cccc2ncnc(N[C@H]3c4ccccc4C[C@H]3O)c12
InChIInChI=1S/C18H17N3O2/c1-23-15-8-4-7-13-16(15)18(20-10-19-13)21-17-12-6-3-2-5-11(12)9-14(17)22/h2-8,10,14,17,22H,9H2,1H3,(H,19,20,21)/t14-,17+/m1/s1
InChIKeyZEQFWKJZSLDFLS-PBHICJAKSA-N
XLogP2.71
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2R)-1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 84596244
(1R,2S)-1-(thieno[3,2-d]pyrimidin-4-ylamino)-2,3-dihydro-1H-inden-2-ol
CID 47371181
(1R,2R)-1-[(5-aminopyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 178121485
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methoxyphenyl)propyl]urea
CID 110923131
(1S,2R)-1-(4,5-dimethoxy-2-nitroanilino)-2,3-dihydro-1H-inden-2-ol
CID 133448075
1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]urea
CID 124850518
1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 22147456
(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol
CID 146535071
N-[(1R,2R)-1-[(7-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide
CID 72898601
(1R,2S)-1-[(2-methoxynaphthalen-1-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463306
methyl 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxypyridine-3-carboxylate
CID 133490320
(2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 59083163

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-[(5-methoxyquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1S,2R)-1-[(5-methoxyquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol (CID 167801808) is (1S,2R)-1-[(5-methoxyquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1S,2R)-1-[(5-methoxyquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1S,2R)-1-[(5-methoxyquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol is COc1cccc2ncnc(N[C@H]3c4ccccc4C[C@H]3O)c12.
What is the InChIKey of (1S,2R)-1-[(5-methoxyquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is ZEQFWKJZSLDFLS-PBHICJAKSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-23-15-8-4-7-13-16(15)18(20-10-19-13)21-17-12-6-3-2-5-11(12)9-14(17)22/h2-8,10,14,17,22H,9H2,1H3,(H,19,20,21)/t14-,17+/m1/s1.
What are the key properties of (1S,2R)-1-[(5-methoxyquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol?
(1S,2R)-1-[(5-methoxyquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 307.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-[(5-methoxyquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 167801808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).