6-[[(4-chloronaphthalen-1-yl)amino]methyl]quinazoline-2,4-diamine

C19H16ClN5 — CID 4039872

IUPAC6-[[(4-chloronaphthalen-1-yl)amino]methyl]quinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(CNc3ccc(Cl)c4ccccc34)ccc2n1
InChIInChI=1S/C19H16ClN5/c20-15-6-8-16(13-4-2-1-3-12(13)15)23-10-11-5-7-17-14(9-11)18(21)25-19(22)24-17/h1-9,23H,10H2,(H4,21,22,24,25)
InChIKeyUAFFWLMOEPQATE-UHFFFAOYSA-N
MW349.83 g/mol
LogP4.21
Rot. Bonds3

About 6-[[(4-chloronaphthalen-1-yl)amino]methyl]quinazoline-2,4-diamine

6-[[(4-chloronaphthalen-1-yl)amino]methyl]quinazoline-2,4-diamine (PubChem CID 4039872) has the molecular formula C19H16ClN5 and a molecular weight of 349.83 g/mol. Its IUPAC name is 6-[[(4-chloronaphthalen-1-yl)amino]methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name6-[[(4-chloronaphthalen-1-yl)amino]methyl]quinazoline-2,4-diamine
PubChem CID4039872
Molecular FormulaC19H16ClN5
Molecular Weight349.83 g/mol
Exact Mass349.11
IUPAC Name6-[[(4-chloronaphthalen-1-yl)amino]methyl]quinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(CNc3ccc(Cl)c4ccccc34)ccc2n1
InChIInChI=1S/C19H16ClN5/c20-15-6-8-16(13-4-2-1-3-12(13)15)23-10-11-5-7-17-14(9-11)18(21)25-19(22)24-17/h1-9,23H,10H2,(H4,21,22,24,25)
InChIKeyUAFFWLMOEPQATE-UHFFFAOYSA-N
XLogP4.21
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[(4-chloronaphthalen-1-yl)amino]methyl]quinazoline-2,4-diamine?
The IUPAC name of 6-[[(4-chloronaphthalen-1-yl)amino]methyl]quinazoline-2,4-diamine (CID 4039872) is 6-[[(4-chloronaphthalen-1-yl)amino]methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 6-[[(4-chloronaphthalen-1-yl)amino]methyl]quinazoline-2,4-diamine?
The canonical SMILES for 6-[[(4-chloronaphthalen-1-yl)amino]methyl]quinazoline-2,4-diamine is Nc1nc(N)c2cc(CNc3ccc(Cl)c4ccccc34)ccc2n1.
What is the InChIKey of 6-[[(4-chloronaphthalen-1-yl)amino]methyl]quinazoline-2,4-diamine?
The InChIKey is UAFFWLMOEPQATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5/c20-15-6-8-16(13-4-2-1-3-12(13)15)23-10-11-5-7-17-14(9-11)18(21)25-19(22)24-17/h1-9,23H,10H2,(H4,21,22,24,25).
What are the key properties of 6-[[(4-chloronaphthalen-1-yl)amino]methyl]quinazoline-2,4-diamine?
6-[[(4-chloronaphthalen-1-yl)amino]methyl]quinazoline-2,4-diamine has a molecular weight of 349.83 g/mol, XLogP of 4.21, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(4-chloronaphthalen-1-yl)amino]methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 4039872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).