N-[3-(chloromethyl)phenyl]quinazolin-4-amine

C15H12ClN3 — CID 65027326

IUPACN-[3-(chloromethyl)phenyl]quinazolin-4-amine
SMILESClCc1cccc(Nc2ncnc3ccccc23)c1
InChIInChI=1S/C15H12ClN3/c16-9-11-4-3-5-12(8-11)19-15-13-6-1-2-7-14(13)17-10-18-15/h1-8,10H,9H2,(H,17,18,19)
InChIKeyHRURPJDCNDJBQZ-UHFFFAOYSA-N
MW269.74 g/mol
LogP4.11
Rot. Bonds3

About N-[3-(chloromethyl)phenyl]quinazolin-4-amine

N-[3-(chloromethyl)phenyl]quinazolin-4-amine (PubChem CID 65027326) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is N-[3-(chloromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[3-(chloromethyl)phenyl]quinazolin-4-amine
PubChem CID65027326
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC NameN-[3-(chloromethyl)phenyl]quinazolin-4-amine
SMILESClCc1cccc(Nc2ncnc3ccccc23)c1
InChIInChI=1S/C15H12ClN3/c16-9-11-4-3-5-12(8-11)19-15-13-6-1-2-7-14(13)17-10-18-15/h1-8,10H,9H2,(H,17,18,19)
InChIKeyHRURPJDCNDJBQZ-UHFFFAOYSA-N
XLogP4.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylphenyl)quinazolin-4-amine
CID 659954
2-chloro-1-N-phenyl-4-N-quinazolin-4-ylbenzene-1,4-diamine
CID 57151753
N-naphthalen-2-ylquinazolin-4-amine
CID 110434772
N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
CID 725409
N-[3-(chloromethyl)phenyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 66324701
N-(3-nitrophenyl)quinazolin-4-amine;hydrochloride
CID 2789328
N-(2-benzylindazol-5-yl)quinazolin-4-amine
CID 101111695
3-(chloromethyl)-N-(quinolin-4-ylmethyl)aniline
CID 79240217
N-pyridin-3-ylquinazolin-4-amine
CID 5328017
N-[3-(chloromethyl)phenyl]furo[3,2-c]pyridin-4-amine
CID 106535656
N-[3-(chloromethyl)phenyl]-5-methoxyisoquinolin-1-amine
CID 106542683
4-(quinazolin-4-ylamino)phenol;hydrochloride
CID 2790603

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of N-[3-(chloromethyl)phenyl]quinazolin-4-amine (CID 65027326) is N-[3-(chloromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-[3-(chloromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for N-[3-(chloromethyl)phenyl]quinazolin-4-amine is ClCc1cccc(Nc2ncnc3ccccc23)c1.
What is the InChIKey of N-[3-(chloromethyl)phenyl]quinazolin-4-amine?
The InChIKey is HRURPJDCNDJBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c16-9-11-4-3-5-12(8-11)19-15-13-6-1-2-7-14(13)17-10-18-15/h1-8,10H,9H2,(H,17,18,19).
What are the key properties of N-[3-(chloromethyl)phenyl]quinazolin-4-amine?
N-[3-(chloromethyl)phenyl]quinazolin-4-amine has a molecular weight of 269.74 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 65027326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).