N-benzyl-7-fluoro-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride

C20H17Cl2FN4 — CID 19392183

IUPACN-benzyl-7-fluoro-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride
SMILESCl.Cl.Fc1ccc2c(NCc3ccccc3)nc(-c3cccnc3)nc2c1
InChIInChI=1S/C20H15FN4.2ClH/c21-16-8-9-17-18(11-16)24-19(15-7-4-10-22-13-15)25-20(17)23-12-14-5-2-1-3-6-14;;/h1-11,13H,12H2,(H,23,24,25);2*1H
InChIKeyIDIMEDVIQMTXHX-UHFFFAOYSA-N
MW403.29 g/mol
LogP5.29
Rot. Bonds4

About N-benzyl-7-fluoro-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride

N-benzyl-7-fluoro-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride (PubChem CID 19392183) has the molecular formula C20H17Cl2FN4 and a molecular weight of 403.29 g/mol. Its IUPAC name is N-benzyl-7-fluoro-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-benzyl-7-fluoro-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride
PubChem CID19392183
Molecular FormulaC20H17Cl2FN4
Molecular Weight403.29 g/mol
Exact Mass402.08
IUPAC NameN-benzyl-7-fluoro-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride
SMILESCl.Cl.Fc1ccc2c(NCc3ccccc3)nc(-c3cccnc3)nc2c1
InChIInChI=1S/C20H15FN4.2ClH/c21-16-8-9-17-18(11-16)24-19(15-7-4-10-22-13-15)25-20(17)23-12-14-5-2-1-3-6-14;;/h1-11,13H,12H2,(H,23,24,25);2*1H
InChIKeyIDIMEDVIQMTXHX-UHFFFAOYSA-N
XLogP5.29
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.29
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9311182
4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]benzenesulfonamide;dihydrochloride
CID 19392360
N-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71181024
2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 9024030
2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine
CID 9024551
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9251567
N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9023704
6-(2,4-difluorophenyl)-N-ethyl-2-pyridin-3-ylquinazolin-4-amine
CID 71274702
N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
CID 9251922
N-methyl-N-[4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316378
N-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234103
N-(5-bromo-2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine;hydrochloride
CID 90353056

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-fluoro-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride?
The IUPAC name of N-benzyl-7-fluoro-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride (CID 19392183) is N-benzyl-7-fluoro-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride.
What is the SMILES notation for N-benzyl-7-fluoro-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride?
The canonical SMILES for N-benzyl-7-fluoro-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride is Cl.Cl.Fc1ccc2c(NCc3ccccc3)nc(-c3cccnc3)nc2c1.
What is the InChIKey of N-benzyl-7-fluoro-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride?
The InChIKey is IDIMEDVIQMTXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4.2ClH/c21-16-8-9-17-18(11-16)24-19(15-7-4-10-22-13-15)25-20(17)23-12-14-5-2-1-3-6-14;;/h1-11,13H,12H2,(H,23,24,25);2*1H.
What are the key properties of N-benzyl-7-fluoro-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride?
N-benzyl-7-fluoro-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride has a molecular weight of 403.29 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-fluoro-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride is sourced from PubChem (CID 19392183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).