6,7-dimethoxy-4-[(3R)-3-naphthalen-2-yloxypyrrolidin-1-yl]quinazoline

C24H23N3O3 — CID 15991588

IUPAC6,7-dimethoxy-4-[(3R)-3-naphthalen-2-yloxypyrrolidin-1-yl]quinazoline
SMILESCOc1cc2ncnc(N3CC[C@@H](Oc4ccc5ccccc5c4)C3)c2cc1OC
InChIInChI=1S/C24H23N3O3/c1-28-22-12-20-21(13-23(22)29-2)25-15-26-24(20)27-10-9-19(14-27)30-18-8-7-16-5-3-4-6-17(16)11-18/h3-8,11-13,15,19H,9-10,14H2,1-2H3/t19-/m1/s1
InChIKeyUPTQSRGSSJRBKJ-LJQANCHMSA-N
MW401.47 g/mol
LogP4.46
Rot. Bonds5

About 6,7-dimethoxy-4-[(3R)-3-naphthalen-2-yloxypyrrolidin-1-yl]quinazoline

6,7-dimethoxy-4-[(3R)-3-naphthalen-2-yloxypyrrolidin-1-yl]quinazoline (PubChem CID 15991588) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[(3R)-3-naphthalen-2-yloxypyrrolidin-1-yl]quinazoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-[(3R)-3-naphthalen-2-yloxypyrrolidin-1-yl]quinazoline
PubChem CID15991588
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name6,7-dimethoxy-4-[(3R)-3-naphthalen-2-yloxypyrrolidin-1-yl]quinazoline
SMILESCOc1cc2ncnc(N3CC[C@@H](Oc4ccc5ccccc5c4)C3)c2cc1OC
InChIInChI=1S/C24H23N3O3/c1-28-22-12-20-21(13-23(22)29-2)25-15-26-24(20)27-10-9-19(14-27)30-18-8-7-16-5-3-4-6-17(16)11-18/h3-8,11-13,15,19H,9-10,14H2,1-2H3/t19-/m1/s1
InChIKeyUPTQSRGSSJRBKJ-LJQANCHMSA-N
XLogP4.46
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 176870
Gefitinib
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CID 176871
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Icotinib
CID 22024915
Abanoquil
CID 164089
4-(3-Bromoanilino)-6,7-diethoxyquinazoline
CID 2857
6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 3798
N-(3-Iodophyenyl)-6,7-dimethoxyoxy-4-quinazolina
CID 5328201
2-Cyclohexyl-6-methoxy-N-(1-(1-methylethyl)-4-piperidinyl)-7-(3-(1-pyrrolidinyl)propoxy)-4-quinazolinamine
CID 46224516
Whi-p131
CID 3794
PQ-10
CID 11955614

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[(3R)-3-naphthalen-2-yloxypyrrolidin-1-yl]quinazoline?
The IUPAC name of 6,7-dimethoxy-4-[(3R)-3-naphthalen-2-yloxypyrrolidin-1-yl]quinazoline (CID 15991588) is 6,7-dimethoxy-4-[(3R)-3-naphthalen-2-yloxypyrrolidin-1-yl]quinazoline.
What is the SMILES notation for 6,7-dimethoxy-4-[(3R)-3-naphthalen-2-yloxypyrrolidin-1-yl]quinazoline?
The canonical SMILES for 6,7-dimethoxy-4-[(3R)-3-naphthalen-2-yloxypyrrolidin-1-yl]quinazoline is COc1cc2ncnc(N3CC[C@@H](Oc4ccc5ccccc5c4)C3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-[(3R)-3-naphthalen-2-yloxypyrrolidin-1-yl]quinazoline?
The InChIKey is UPTQSRGSSJRBKJ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-28-22-12-20-21(13-23(22)29-2)25-15-26-24(20)27-10-9-19(14-27)30-18-8-7-16-5-3-4-6-17(16)11-18/h3-8,11-13,15,19H,9-10,14H2,1-2H3/t19-/m1/s1.
What are the key properties of 6,7-dimethoxy-4-[(3R)-3-naphthalen-2-yloxypyrrolidin-1-yl]quinazoline?
6,7-dimethoxy-4-[(3R)-3-naphthalen-2-yloxypyrrolidin-1-yl]quinazoline has a molecular weight of 401.47 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[(3R)-3-naphthalen-2-yloxypyrrolidin-1-yl]quinazoline is sourced from PubChem (CID 15991588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).