8-chloro-N-(2,3-dihydro-1-benzofuran-6-yl)quinazolin-2-amine

C16H12ClN3O — CID 177312596

IUPAC8-chloro-N-(2,3-dihydro-1-benzofuran-6-yl)quinazolin-2-amine
SMILESClc1cccc2cnc(Nc3ccc4c(c3)OCC4)nc12
InChIInChI=1S/C16H12ClN3O/c17-13-3-1-2-11-9-18-16(20-15(11)13)19-12-5-4-10-6-7-21-14(10)8-12/h1-5,8-9H,6-7H2,(H,18,19,20)
InChIKeyDYXPCPVVVDHISH-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.96
Rot. Bonds2

About 8-chloro-N-(2,3-dihydro-1-benzofuran-6-yl)quinazolin-2-amine

8-chloro-N-(2,3-dihydro-1-benzofuran-6-yl)quinazolin-2-amine (PubChem CID 177312596) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 8-chloro-N-(2,3-dihydro-1-benzofuran-6-yl)quinazolin-2-amine.

Molecular Properties

Compound Name8-chloro-N-(2,3-dihydro-1-benzofuran-6-yl)quinazolin-2-amine
PubChem CID177312596
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name8-chloro-N-(2,3-dihydro-1-benzofuran-6-yl)quinazolin-2-amine
SMILESClc1cccc2cnc(Nc3ccc4c(c3)OCC4)nc12
InChIInChI=1S/C16H12ClN3O/c17-13-3-1-2-11-9-18-16(20-15(11)13)19-12-5-4-10-6-7-21-14(10)8-12/h1-5,8-9H,6-7H2,(H,18,19,20)
InChIKeyDYXPCPVVVDHISH-UHFFFAOYSA-N
XLogP3.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinazolin-2-amine
CID 177312618
8-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(7S)-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]quinazolin-2-amine
CID 156733993
8-(3-morpholin-4-ylsulfonylphenyl)-N-[(7S)-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]quinazolin-2-amine
CID 175250888
7-[[5-chloro-4-[2-(methylaminomethyl)anilino]pyrimidin-2-yl]amino]-1-methyl-4,5-dihydro-3,1-benzoxazepin-2-one
CID 66829817
2-N-(1,3-benzodioxol-5-yl)-4-N-(2,3-dichlorophenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 118908174
3-N-(3-chlorophenyl)-5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazine-3,5-diamine
CID 112965970
N-(1-cyclohexylpyrazol-4-yl)-8-(2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine
CID 158284629
5-chloro-4-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80747944
N-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide
CID 109316794
N-(3-chloro-2-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide
CID 109317097
N-(3-isocyanophenyl)-8-methylquinazolin-2-amine
CID 59615256
6-chloro-2,3-dihydrofuro[3,2-c]pyridine
CID 10725593

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2,3-dihydro-1-benzofuran-6-yl)quinazolin-2-amine?
The IUPAC name of 8-chloro-N-(2,3-dihydro-1-benzofuran-6-yl)quinazolin-2-amine (CID 177312596) is 8-chloro-N-(2,3-dihydro-1-benzofuran-6-yl)quinazolin-2-amine.
What is the SMILES notation for 8-chloro-N-(2,3-dihydro-1-benzofuran-6-yl)quinazolin-2-amine?
The canonical SMILES for 8-chloro-N-(2,3-dihydro-1-benzofuran-6-yl)quinazolin-2-amine is Clc1cccc2cnc(Nc3ccc4c(c3)OCC4)nc12.
What is the InChIKey of 8-chloro-N-(2,3-dihydro-1-benzofuran-6-yl)quinazolin-2-amine?
The InChIKey is DYXPCPVVVDHISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-13-3-1-2-11-9-18-16(20-15(11)13)19-12-5-4-10-6-7-21-14(10)8-12/h1-5,8-9H,6-7H2,(H,18,19,20).
What are the key properties of 8-chloro-N-(2,3-dihydro-1-benzofuran-6-yl)quinazolin-2-amine?
8-chloro-N-(2,3-dihydro-1-benzofuran-6-yl)quinazolin-2-amine has a molecular weight of 297.75 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2,3-dihydro-1-benzofuran-6-yl)quinazolin-2-amine is sourced from PubChem (CID 177312596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).