6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)phenyl]quinazolin-2-amine

C23H23ClN6O — CID 59325650

IUPAC6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)phenyl]quinazolin-2-amine
SMILESCn1cc(-c2cc(CN3CCOCC3)cc(Nc3ncc4cc(Cl)ccc4n3)c2)cn1
InChIInChI=1S/C23H23ClN6O/c1-29-15-19(13-26-29)17-8-16(14-30-4-6-31-7-5-30)9-21(11-17)27-23-25-12-18-10-20(24)2-3-22(18)28-23/h2-3,8-13,15H,4-7,14H2,1H3,(H,25,27,28)
InChIKeyZFWVXTWHVLARLX-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.26
Rot. Bonds5

About 6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)phenyl]quinazolin-2-amine

6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)phenyl]quinazolin-2-amine (PubChem CID 59325650) has the molecular formula C23H23ClN6O and a molecular weight of 434.93 g/mol. Its IUPAC name is 6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)phenyl]quinazolin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)phenyl]quinazolin-2-amine
PubChem CID59325650
Molecular FormulaC23H23ClN6O
Molecular Weight434.93 g/mol
Exact Mass434.16
IUPAC Name6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)phenyl]quinazolin-2-amine
SMILESCn1cc(-c2cc(CN3CCOCC3)cc(Nc3ncc4cc(Cl)ccc4n3)c2)cn1
InChIInChI=1S/C23H23ClN6O/c1-29-15-19(13-26-29)17-8-16(14-30-4-6-31-7-5-30)9-21(11-17)27-23-25-12-18-10-20(24)2-3-22(18)28-23/h2-3,8-13,15H,4-7,14H2,1H3,(H,25,27,28)
InChIKeyZFWVXTWHVLARLX-UHFFFAOYSA-N
XLogP4.26
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethynyl-N-[3-[(2-methylmorpholin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine
CID 59325665
4-[[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]methyl]-1-methylpiperazin-2-one
CID 59325561
6-bromo-8-chloro-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine
CID 59325706
N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine
CID 59325506
8-fluoro-6-methyl-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine
CID 70942900
2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]acetonitrile
CID 59325656
2-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]acetic acid;2-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]acetonitrile
CID 161496906
2-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]acetic acid
CID 141216292
6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine
CID 155777536
6-ethynyl-N-[3-(2-iminopropoxy)-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine
CID 143712472
5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 117078807
[4-[[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 67102286

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)phenyl]quinazolin-2-amine?
The IUPAC name of 6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)phenyl]quinazolin-2-amine (CID 59325650) is 6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)phenyl]quinazolin-2-amine.
What is the SMILES notation for 6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)phenyl]quinazolin-2-amine?
The canonical SMILES for 6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)phenyl]quinazolin-2-amine is Cn1cc(-c2cc(CN3CCOCC3)cc(Nc3ncc4cc(Cl)ccc4n3)c2)cn1.
What is the InChIKey of 6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)phenyl]quinazolin-2-amine?
The InChIKey is ZFWVXTWHVLARLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O/c1-29-15-19(13-26-29)17-8-16(14-30-4-6-31-7-5-30)9-21(11-17)27-23-25-12-18-10-20(24)2-3-22(18)28-23/h2-3,8-13,15H,4-7,14H2,1H3,(H,25,27,28).
What are the key properties of 6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)phenyl]quinazolin-2-amine?
6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)phenyl]quinazolin-2-amine has a molecular weight of 434.93 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)phenyl]quinazolin-2-amine is sourced from PubChem (CID 59325650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).