7-chloro-4-[2-(furan-2-yl)pyrrolidin-1-yl]quinazoline

C16H14ClN3O — CID 86962318

IUPAC7-chloro-4-[2-(furan-2-yl)pyrrolidin-1-yl]quinazoline
SMILESClc1ccc2c(N3CCCC3c3ccco3)ncnc2c1
InChIInChI=1S/C16H14ClN3O/c17-11-5-6-12-13(9-11)18-10-19-16(12)20-7-1-3-14(20)15-4-2-8-21-15/h2,4-6,8-10,14H,1,3,7H2
InChIKeyDJULAZGDKAQDAR-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.22
Rot. Bonds2

About 7-chloro-4-[2-(furan-2-yl)pyrrolidin-1-yl]quinazoline

7-chloro-4-[2-(furan-2-yl)pyrrolidin-1-yl]quinazoline (PubChem CID 86962318) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 7-chloro-4-[2-(furan-2-yl)pyrrolidin-1-yl]quinazoline.

Molecular Properties

Compound Name7-chloro-4-[2-(furan-2-yl)pyrrolidin-1-yl]quinazoline
PubChem CID86962318
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name7-chloro-4-[2-(furan-2-yl)pyrrolidin-1-yl]quinazoline
SMILESClc1ccc2c(N3CCCC3c3ccco3)ncnc2c1
InChIInChI=1S/C16H14ClN3O/c17-11-5-6-12-13(9-11)18-10-19-16(12)20-7-1-3-14(20)15-4-2-8-21-15/h2,4-6,8-10,14H,1,3,7H2
InChIKeyDJULAZGDKAQDAR-UHFFFAOYSA-N
XLogP4.22
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-1-(7-chloroquinazolin-4-yl)piperidin-2-yl]-1,3-benzoxazole
CID 97248176
4-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]benzonitrile
CID 133304579
3-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]-5-nitropyridine
CID 133304580
1-(7-chloroquinazolin-4-yl)piperidin-4-ol
CID 17488821
1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 86885508
4-[2-(4-chlorophenyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 42891735
5-fluoro-2-[2-(furan-2-yl)pyrrolidin-1-yl]pyridine
CID 119040542
6-chloro-4-(2-methylpiperidin-1-yl)quinazoline
CID 172903082
5-methyl-3-[(2R)-1-quinazolin-4-ylpyrrolidin-2-yl]-1,2-oxazole
CID 39998438
N-(4-chloro-2-fluorophenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 42930849
(3S)-4-(7-chloroquinazolin-4-yl)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344166
7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline
CID 86949423

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[2-(furan-2-yl)pyrrolidin-1-yl]quinazoline?
The IUPAC name of 7-chloro-4-[2-(furan-2-yl)pyrrolidin-1-yl]quinazoline (CID 86962318) is 7-chloro-4-[2-(furan-2-yl)pyrrolidin-1-yl]quinazoline.
What is the SMILES notation for 7-chloro-4-[2-(furan-2-yl)pyrrolidin-1-yl]quinazoline?
The canonical SMILES for 7-chloro-4-[2-(furan-2-yl)pyrrolidin-1-yl]quinazoline is Clc1ccc2c(N3CCCC3c3ccco3)ncnc2c1.
What is the InChIKey of 7-chloro-4-[2-(furan-2-yl)pyrrolidin-1-yl]quinazoline?
The InChIKey is DJULAZGDKAQDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-11-5-6-12-13(9-11)18-10-19-16(12)20-7-1-3-14(20)15-4-2-8-21-15/h2,4-6,8-10,14H,1,3,7H2.
What are the key properties of 7-chloro-4-[2-(furan-2-yl)pyrrolidin-1-yl]quinazoline?
7-chloro-4-[2-(furan-2-yl)pyrrolidin-1-yl]quinazoline has a molecular weight of 299.76 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[2-(furan-2-yl)pyrrolidin-1-yl]quinazoline is sourced from PubChem (CID 86962318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).