2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;2-methylpropyl carbamate

C23H27FN4O3 — CID 143465403

IUPAC2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;2-methylpropyl carbamate
SMILESCC(C)COC(N)=O.Oc1ccccc1-c1nc(N2CCCC2)c2cc(F)ccc2n1
InChIInChI=1S/C18H16FN3O.C5H11NO2/c19-12-7-8-15-14(11-12)18(22-9-3-4-10-22)21-17(20-15)13-5-1-2-6-16(13)23;1-4(2)3-8-5(6)7/h1-2,5-8,11,23H,3-4,9-10H2;4H,3H2,1-2H3,(H2,6,7)
InChIKeyIPNHMTAWLFBDQG-UHFFFAOYSA-N
MW426.49 g/mol
LogP4.48
Rot. Bonds4

About 2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;2-methylpropyl carbamate

2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;2-methylpropyl carbamate (PubChem CID 143465403) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is 2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;2-methylpropyl carbamate.

Molecular Properties

Compound Name2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;2-methylpropyl carbamate
PubChem CID143465403
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC Name2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;2-methylpropyl carbamate
SMILESCC(C)COC(N)=O.Oc1ccccc1-c1nc(N2CCCC2)c2cc(F)ccc2n1
InChIInChI=1S/C18H16FN3O.C5H11NO2/c19-12-7-8-15-14(11-12)18(22-9-3-4-10-22)21-17(20-15)13-5-1-2-6-16(13)23;1-4(2)3-8-5(6)7/h1-2,5-8,11,23H,3-4,9-10H2;4H,3H2,1-2H3,(H2,6,7)
InChIKeyIPNHMTAWLFBDQG-UHFFFAOYSA-N
XLogP4.48
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;pyridine-4-carboxamide
CID 143244744
bis((2R)-1-[4-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one);hydrochloride
CID 158205493
(2R)-1-[4-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one;molecular hydrogen
CID 161039660
tert-butyl-[1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamic acid
CID 136658391
2-methylpropyl N-amino-N-[(2R)-2-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-2-yl]carbamate
CID 174571503
1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 135984599
oxocan-2-ylmethyl N-[1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate
CID 143198649
[(2E,3Z)-2-ethylidenehexa-3,5-dienyl] carbamate;2-(7-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)phenol
CID 143198730
(2R)-1-[4-[6-fluoro-2-(2-methylphenyl)quinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one
CID 157442409
2-(7-methyl-4-piperidin-1-ylquinazolin-2-yl)phenol
CID 136638558
4-[4-(3-hydroxy-5-methylhexanoyl)piperazin-1-yl]-2-(2-hydroxyphenyl)quinazoline-6-carbonitrile
CID 143198630
(2R)-2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one;molecular hydrogen
CID 160603801

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;2-methylpropyl carbamate?
The IUPAC name of 2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;2-methylpropyl carbamate (CID 143465403) is 2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;2-methylpropyl carbamate.
What is the SMILES notation for 2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;2-methylpropyl carbamate?
The canonical SMILES for 2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;2-methylpropyl carbamate is CC(C)COC(N)=O.Oc1ccccc1-c1nc(N2CCCC2)c2cc(F)ccc2n1.
What is the InChIKey of 2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;2-methylpropyl carbamate?
The InChIKey is IPNHMTAWLFBDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O.C5H11NO2/c19-12-7-8-15-14(11-12)18(22-9-3-4-10-22)21-17(20-15)13-5-1-2-6-16(13)23;1-4(2)3-8-5(6)7/h1-2,5-8,11,23H,3-4,9-10H2;4H,3H2,1-2H3,(H2,6,7).
What are the key properties of 2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;2-methylpropyl carbamate?
2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;2-methylpropyl carbamate has a molecular weight of 426.49 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;2-methylpropyl carbamate is sourced from PubChem (CID 143465403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).