(4-aminoquinazolin-7-yl)-[3-(3-bromo-5-hydroxyphenyl)pyrrolidin-1-yl]methanone

C19H17BrN4O2 — CID 166398427

IUPAC(4-aminoquinazolin-7-yl)-[3-(3-bromo-5-hydroxyphenyl)pyrrolidin-1-yl]methanone
SMILESNc1ncnc2cc(C(=O)N3CCC(c4cc(O)cc(Br)c4)C3)ccc12
InChIInChI=1S/C19H17BrN4O2/c20-14-5-13(6-15(25)8-14)12-3-4-24(9-12)19(26)11-1-2-16-17(7-11)22-10-23-18(16)21/h1-2,5-8,10,12,25H,3-4,9H2,(H2,21,22,23)
InChIKeyCWBMQGRZBCGHDL-UHFFFAOYSA-N
MW413.28 g/mol
LogP3.31
Rot. Bonds2

About (4-aminoquinazolin-7-yl)-[3-(3-bromo-5-hydroxyphenyl)pyrrolidin-1-yl]methanone

(4-aminoquinazolin-7-yl)-[3-(3-bromo-5-hydroxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 166398427) has the molecular formula C19H17BrN4O2 and a molecular weight of 413.28 g/mol. Its IUPAC name is (4-aminoquinazolin-7-yl)-[3-(3-bromo-5-hydroxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminoquinazolin-7-yl)-[3-(3-bromo-5-hydroxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID166398427
Molecular FormulaC19H17BrN4O2
Molecular Weight413.28 g/mol
Exact Mass412.05
IUPAC Name(4-aminoquinazolin-7-yl)-[3-(3-bromo-5-hydroxyphenyl)pyrrolidin-1-yl]methanone
SMILESNc1ncnc2cc(C(=O)N3CCC(c4cc(O)cc(Br)c4)C3)ccc12
InChIInChI=1S/C19H17BrN4O2/c20-14-5-13(6-15(25)8-14)12-3-4-24(9-12)19(26)11-1-2-16-17(7-11)22-10-23-18(16)21/h1-2,5-8,10,12,25H,3-4,9H2,(H2,21,22,23)
InChIKeyCWBMQGRZBCGHDL-UHFFFAOYSA-N
XLogP3.31
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.28
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-aminoquinazolin-7-yl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone
CID 154746243
(3-methyl-1,2-benzoxazol-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 154872305
(4-aminoquinazolin-7-yl)-(3-ethyl-3-phenylazetidin-1-yl)methanone
CID 167882908
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
(1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 46981412
(3-bromopyrrolidin-1-yl)-quinoxalin-6-ylmethanone
CID 80677717
2-(3-phenylpyrrolidine-1-carbonyl)anthracene-9,10-dione
CID 16764902
1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
CID 43926531
3-[(3S)-1-(quinoxaline-6-carbonyl)piperidin-3-yl]benzoic acid
CID 97209819
2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 125001721
tert-butyl N-[1-(4-chloroquinazoline-7-carbonyl)piperidin-3-yl]carbamate
CID 86598057
[3-(4-hydroxyphenyl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 166247244

Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-7-yl)-[3-(3-bromo-5-hydroxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-aminoquinazolin-7-yl)-[3-(3-bromo-5-hydroxyphenyl)pyrrolidin-1-yl]methanone (CID 166398427) is (4-aminoquinazolin-7-yl)-[3-(3-bromo-5-hydroxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-aminoquinazolin-7-yl)-[3-(3-bromo-5-hydroxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-aminoquinazolin-7-yl)-[3-(3-bromo-5-hydroxyphenyl)pyrrolidin-1-yl]methanone is Nc1ncnc2cc(C(=O)N3CCC(c4cc(O)cc(Br)c4)C3)ccc12.
What is the InChIKey of (4-aminoquinazolin-7-yl)-[3-(3-bromo-5-hydroxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is CWBMQGRZBCGHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O2/c20-14-5-13(6-15(25)8-14)12-3-4-24(9-12)19(26)11-1-2-16-17(7-11)22-10-23-18(16)21/h1-2,5-8,10,12,25H,3-4,9H2,(H2,21,22,23).
What are the key properties of (4-aminoquinazolin-7-yl)-[3-(3-bromo-5-hydroxyphenyl)pyrrolidin-1-yl]methanone?
(4-aminoquinazolin-7-yl)-[3-(3-bromo-5-hydroxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 413.28 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoquinazolin-7-yl)-[3-(3-bromo-5-hydroxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 166398427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).